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Елементарні реакції пероксильних радикалів у процесах рідиннофазного окиснення органічних сполук (квантово – хімічний опис): Автореф. дис… д-ра хім.

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IAOe?IIAEUeIA AEAAeAIIss IAOE OE?A?IE

IICOEOOO OICEEI-I?AAII*II? OIII? OA AOAEAOIII?

II.E.I. EEOAEIAIEA

AeIEO?OE IEAECAIAe? OIEA?AOIAE*

OAeE541.127+547.284

AEAIAIOA?II ?AAEOeI? IA?IECEEUeIEO ?AAeEEAEIA

O I?IOeACAO ?IAeEIIIOACIIAI IEECIAIIss I?AAII*IEO CIIEOE

(eaaioiai – oiii/iee iiec)

02.00.04 – oice/ia oiiiy

AAOI?AOA?AO

aeeca?oaoei? ia caeiaoooy iaoeiaiai cooiaiy

aeieoi?a oiii/ieo iaoe

Aeiiaoeuee 1998

Aeeca?oaoei?th ? ?oeiiec.

?iaioa aeeiiaia a Iicoeoooi oiceei-i?aaii/ii? oiii? oa aoaeaoiii? ii.
E.I. Eeoaeiaiea IAI Oe?a?ie

Iaoeiaee eiicoeueoaio:

aeieoi? oiii/ieo iaoe, i?ioaci? Iiaeaea Einei Ieaen?eiae/, ?inoeooo
o?ceei-i?aai?/ii? o?i?? oa aoaeao?i?? ?i. E.I. Eeoaeiaiea IAI Oe?a?ie,
canooiiee aee?aeoi?a ?ino?oooo

Ioioeieii iiiiaioe:

1.Aeieoi? oiii/ieo iaoe, aeioeaio Aaecoyi Aai?? A?oaa??iae/,
?oa?aeainueea o?e?y No?aeiioe?a?inueeiai aea?aeaaiiai oi?aa?neoaoo,
caa?aeoaa/ eaoaae?e

2.Aeieoi? oiceei-iaoaiaoe/ieo iaoe, i?ioaci? Eocaiia Aiaoie?e
A?oae??ae/, Oa?uee?anueeee aea?aeaaiee oi?aa?neoao, i?ioani?

3.Aeieoi? oiii/ieo iaoe, i?ioaci? ?eaa/aiei Aieiaeeie? Iaaiiae/,
?inoeooo o?ceei-i?aai?/ii? o?i?? oa aoaeao?i?? ?i. E.I. Eeoaeiaiea IAI
Oe?a?ie, caa?aeoaa/ a?aeae?eo

I?iaiaeia onoaiiaa:

Iicoeooo aiii?aaii/ii? oiii? oa iaooioiii? IAI Oe?a?ie, i. Ee?a.

Caoeco aeeca?oaoei? aiaeaoaeaouecy “__”_________1998? i _____a.

ia caciaeaiii Ciaoeiaeiciaaii? a/aii? ?aaee Ae 11.216.01 a Iicoeoooi
oiceei-i?aaii/ii? oiii? oa aoaeaoiii? ii. E.I. Eeoaeiaiea IAI Oe?a?ie ca
aae?anith: 340114, i. Aeiiaoeuee, aoe. ?.Ethecaiao?a, 70

C aeeca?oaoei?th iiaeia iciaeiieoecy o aiaeiioaoei Iicoeoooo
oiceei-i?aaii/ii? oiii? oa aoaeaoiii? ii. E.I. Eeoaeiaiea IAI Oe?a?ie
(340114, i. Aeiiaoeuee, aoe. ?.Ethecaiao?a, 70)

Aaoi?aoa?ao ?iciceaiee “__”_________ 1998?.

A/aiee cae?aoa? ciaoeiaeiciaaii? a/aii? ?aaee Oaiae?ee I.I.

CAAAEUeIA OA?AEOA?ECOEEA ?IAIOE.

Aeooaeueiicoue. Ia?ieceeueii ?aaeeeaee (RO2() ? iciiaieie i?iiiaeieie
/acoeieaie aeaiaioa?ieo ?aaeoeie i?ioeacia ?iaeeiiioaciiai ieeciaiiy
i?aaii/ieo ciieoe iieaeoey?iei eeciai. Aiie a?ae?a?athoue cia/io ?ieue o
i?ioeacao coa?iiiy oa aeaco?oeoei? iieiia?ieo iaoa?iaeia, ieeciaiiy
aiieiai/ieo cecoai, ieeciaiiy oa caiicaai?aiiy aoaieey, a oaeiae o
?aaeoe?yo, ye? eaaeaoue a iniia? aaaaoueio aecieiaoaeoeaieo
oaoiieiai/ieo i?ioeacia io?eiaiiy aee?ieo eeceio, cie?oia, oaiieo,
aoeaoiio i o.ae. Oaeaeeicoue i?ioeaco ieeciaiiy, a oaeiae ceeaae
i?iaeoeoia aeaoa?iiio?ouecy ?aaeoeaiicoth RO2( o iacooiieo ?aaeoeiyo:

RO2(. + RH (( ROOH + R( (1)

2RO2( .(( iaaeo. i?iaeoeoe (2)

RO2( .(( .(rOOH (3)

Oiio iaaecae/aeii aaaeeeaei iaoeiaei caaaeaiiyi ? coai?aiiy aa?ecoe/ieo
iiaeaeae, yei iiecothoue iaoaiici aca?iiaei? oa ?aaeoeieio caeaoiicoue
/acoeiie o oeeo ?aaeoeiyo.

Iaoa oa caaaeaiiy oeueiai aeiceiaeaeaiiy: Ciaoiaeaeaiiy eieueeicieo
caeaaeiicoae iiae eiiaoe/ieie aeoeaaoeieieie ia?aiao?aie a aeaiaioa?ieo
aiiieioe/ieo ?aaeoeiyo i?ioeaco ieeciaiiy oa co?oeoo?ith ?aaeoaioia.
Aeey ?aaeicaoei? oei?? iaoe iaiaoiaeii ae?ioeoe iacooiii caaea/i:

1. Aeiceiaeaeaiiy aeaeo?iiii? co?oeoo?e oa aaiiao?e/ii? aoaeiae iieaeoe
i ?aaeeeaeia, yei ? ?aaeoaioaie a aeaiaioa?ieo ?aaeoeiyo i?ioeaco
?iaeeiiioaciiai ieeciaiiy.

2. Iiooe oa aeiceiaeaeaiiy aeacoeaicoae ia?aoiaeieo coaiia (IC)
aeaiaioa?ieo ?aaeoeie ca o/acoth ia?ieceeueieo ?aaeeeaeia.

3. Acoaiiaeaiiy ooieoeieii? caeaaeiicoi iiae aoaeiaith oa ?aaeoeaiicoth
ia?ieceeueieo ?aaeeeaeia oa iieaeoe, yei aa?ooue o/acoue o aeaiaioa?ieo
?aaeoeiyo i?ioeaco ieeciaiiy.

Ia’?eoaie aeiceiaeaeaiiy ? aeaiaioa?ii ?aaeoei? ia?ieceeueieo ?aaeeeaeia
o i?ioeacao ?iaeeiiioaciiai ieeciaiiy aeeiea?iiaoe/ieo aoaeaaiaeiia oa
?o iioiaeieo – i?iaeoeoia ia?a?iaee iaooe oa aoaieey. Eiiaoe/ii
caeiiiii?iicoi ?iaeeiiioaciiai ieeciaiiy oeeo ciieoe aeaoaeueii
aea/aeecy oeieith aeaaeaiiea Eo/a?a ?.A.

Iaoiaee aeiceiaeaeaiiy. sse iciiaiee iaoiae ?ic?aooieo aeaeo?iiii?
co?oeoo?e ?aaeeeaeia oa iieaeoe aeei?ecoiaoacy iaoiae I*IAeI/3. Aeey
cecoai c aiaee?eoith iaieiieith (?aaeeeaeia, eaoiii – ?aaeeeaeia i
o.i.), aeei?ecoiaoaaeecue iaaeeaeaiiy: “iieiaeiie aeaeo?iio” (IA),
iaiaaeaiiai Oa?o?i – Oiea (IOO), iaiaiaaeaiiai Oa?o?i-Oiea(IOO) oa
iaiaaeaii? eiioiao?aoeieii? aca?iiaei? (EA), c cae?eoeie – IOO. Aeey
?ic?aooieo aca?iiaeith/eo ?aaeeeaeueieo ia? oa aeaeo?iiii-caoaeaeaieo
coaiia iieaeoe cacoiciaoaaeicy iaiaaeaia a?aooaaiiy eiioiao?aoeieii?
aca?iiaei? (EA-2).

Iaoeiaa iiaecia ?iaioe i i?aeoe/ia oeiiiicoue. Aeeiiaii eaaioiai-oiii/ii
?ic?aooiee aaiiao?e/ii? oa aeaeo?iiii? co?oeoo?e aieueo i?ae cioii
aeeiea?iiaoe/ieo iieaeoe, ?o iioiaeieo oa aiaeiiaiaeieo aaiceeueieo oa
ia?ieceeueieo ?aaeeeaeia. I?iaaaeaii aiaeic aaeaeaaoiicoi aecia?eiaioo
?acoeueoao?a eaaioiai-oiii/ieo ?ic?aooie?a oaeeo aaaeeeaeo
oiceei-oiii/ieo oa?aeoa?ecoee iieaeoe, ye aioaeueii? ooai?aiiy i
iioaioeiaee iiiicaoei? a caeaaeiicoi aiae iieaeoey?ii? co?oeoo?e
aeeiea?aiia oa ?o iioiaeieo.

Aeiceiaeaeaii i?ecoiciaiicoue ?icieo iaaeeaeaiue iaoiaeo I*IAeI/3 aei
?ic?aooieo eiioi?iaoeie aeieueieo oa aaiceeueieo ?aaeeeaeia.

Iieacaii, ui aoaeiaa caiicieea (ia?aeiiee, aoi?eiiee aai o?aoeiiee) o
ia?ieceeueieo ?aaeeeaeao aecia/a? aeacoeaicoi eiioi?iaoeie i?iiiaeiiai
iioa?iaaeiaoo ?aaeoei? ?aeiiaiiaoei? – oao?aieceaeo (OI). Io?eiaii
aia?aaoe/ii i?ioiei aeey ?aaeoei? ooai?aiiy OI oa aeueoa?iaoeaieo
eaiaeia eiai aiiieioe/iiai ?iceeaaeo, ia iciiai /iai aeiaaaeaii ia?aaaao
iaceio?iiiiai iaoaiicio ?iceeaaeo OI o aeiaaeeo ?aeiiaiiaoei? o?aoeiieo
ia?ieceeueieo ?aaeeeaeia iaae neio?iiiei.

Aeeiiaii ?ic?aooiee iiaa?oiiue iioaioeiaeueii? aia?ai? (IIA) aeey
aeaiaioa?ieo ?aaeoeie aiae?eao aoiio aiaeith aiae?iia?ieceeueiei oa
oi?iieia?ieceeueiei ?aaeeeaeaie aiae iieaeoe c ?iciei oeiii (-C-I
ca’yceo (ia?aeiiee, aoi?eiiee, o?aoeiiee oa aoeeeueiee). Ciaeaeaii oi/ee
ia IIA, ui aiaeiiaiaeathoue ia?aoiaeiei coaiai (IC) ?aaeoeie. Aeoiaey/e
c aaiiao??? oa aeaeo?iiieo aeanoeainoae aeine?aeaeaieo IC, aeey iieco
?aaeoei? aiiieioe/iiai iaiiio aoiiii aiaeith cai?iiiiiaaii iiaeaeue
?aiiueiai ia?aoiaeiiai coaio c ia?aiicii ca?yaeo (?ICIC). Ia iciiai
oei?? iiaeaei iaea?aeaii ?iaiyiiy, yei iia’ycothoue eiiaoe/ii
aeoeaaoeieii ia?aiao?e c aeaeo?iiieie oa aaiiao?e/ieie oa?aeoa?ecoeeaie
?aaeoaioia.

Aeey ?aaeeeaeia CI3-O-CI2O2( . (aea O: -CI2-, -O-, -NI-) i?iaaaeaii
ceaioaaiiy IIA ca eii?aeeiaoith ?aaeoei? iciia?icaoei? ia?ieceeueieo
?aaeeeaeia. Iaea?aeaii aaiiao?e/ii, aeaeo?iiii oa oa?iiaeeiaii/ii
oa?aeoa?ecoeee IC. Acoaiiaeaia i?ecoiciaiicoue iiaeaei ?ICIC aeey
ioeiiee cia/aiue eiiaoe/ieo ia?aiao?ia ?aaeoei? iciia?icaoei?
ia?ieceeueieo ?aaeeeaeia.

Aeciiaee, c?iaeaii o ?iaioi, nooo?ai aeiiiaiththoue co/acii oyaeaiiy i?i
aeaeo?iiio co?oeoo?o oa ?aaeoeieio caeaoiicoue /acoeiie, ui aa?ooue
o/acoue o ?aaeeeaeueieo ?aaeoeiyo. Cai?iiiiiaaia o ?iaioi iiaeaeue ?ICIC
iiaea aooe ei?eciith aeey ciaoeiaeicoia, yei i?aoeththoue o aaeoci
?iaeeiiioaciiai ieeciaiiy, i?e ioeiithaaiii aaaeeiaeicooiieo aeey
aecia?eiaioaeueieo aeii?thaaiue eiiaoe/ieo aeoeaaoeieieo ia?aiao?ia
?aaeoeie i?iaeiaaeaiiy eaioethaa oa iciia?ecaoei?. ?iaioa ia? oaeiae
iaoiaee/ia cia/aiiy, ci?eyth/e iiaeaeueoiio ?icaeoeo eiioeaioeie
oai?aoe/ii? oiceei-i?aaii/ii? oiii?.

Ai?iaaoeiy ?iaioe. Iciiaii ?acoeueoaoe ?iaioe aeiiiaiaeaeecue ia
II,III,IV oa VI Acacithciuo eiioa?aioeeyo ii aeeaeeioaciiio ieeceaieth
i?aaie/aceeo ciaaeeiaiee (Iiceaa, 1971?., Iiicuee, 1975?., Aaeo, 1979?.,
Eueaia, 1986?.), Acacithciii ciaauaiee “Iaoaieci ?aaeeeaeueieo ?aaeoeee
ieeceaiey” (Oaeeii, 1972?.), VI e VII Acacithciuo eiioa?aioeeyo ii oeiee
i?aaie/aceeo ia?ieceaeiuo ciaaeeiaiee (Aeiiaoeuee, 1976?., Aieaia?aae,
1980?.), Iaaeaeoia?iaeiii caieia?a (Iaoaieci aeaecoaey e ?aaeoeeiiiay
ciiciaiicoue aeae?iia?aeeciuo ?aceiaeeoaeae e aeacaeoeaaoi?ia ia?aeeciuo
?aaeeeaeia( ( Aieaa?iy, Cioiy, 1977?.), II Iaaeaeoia?iaeiii ceiiiceoia
ii ieeceaieth (Oai?ueia, Aoaeaiaoo, 1982?.), IO Acacithciii ciaauaiee ii
eaaioiaie oeiee (Iaaiiai, 1985?.), Acacithciii ciaauaiee “Eeiaoeea
?aaeeeaeueiuo ?aaeoeee a aeeaeeie oaca” (Ai?ueeee, 1987?.), III
Acacithciie eiioa?aioeee “Oeceea e oeiey aeaiaioa?iuo oeie/aceeo
i?ioeaccia” (Iiceaa, 1987?.), Acacithciie eiioa?aioeee “Eeiaoeea
?aaeeeaeueiuo aeeaeeioaciuo ?aaeoeee” (ss?iceaaeue, 1990?.), Acacithciii
ciaauaiee ii eaaioiaie oeiee (Iiaiceae?cuee, 1990?.), Acacithciie
eiioa?aioeee “Caeaeoeaiia ieeceaiea oaeaaiaei?iaeia e ?aco?cicaa?aaeaiea
oaeaaiaei?iaeiiai cu?uey” (Oa?eia, 1991?.), O Acacithciii ciaauaiee ii
eaaioiaie oeiee (Eacaiue, 1991?.), ?acioaeeeaiceeo caieia?ao ii
eaaioiaie oeiee (Uo?iai, 1991, 1993??.), I, II Iaaeaeoia?iaeiuo
eiioa?aioeeyo “Eeiaoeea ?aaeeeaeueiuo aeeaeeioaciuo ?aaeoeee” (?iciy,
ss?iceaaeue, 1993?., Eacaiue, 1995?.).

Ioaeieaoei?. Ca oaiith aeeca?oaoei? iioaeieiaaii 64 ?iaioe, c ieo 36
coaoae, 7 aeaiiiiaaieo ?oeiiecia oa 21 oace aeiiiaiaeae ia
eiioa?aioeiyo.

Iciaecoee aiacie aeeca?oaioa. Ieaioaaiiy oa iicoaiiaea aeiceiaeaeaiue,
(noai?aiiy oa aaeaioaoe?y i?ia?ai aeey ia/eneaiiy, a?eueoa /anoeia
eaaioiaio?i?/ieo ?ic?aooie?a) ia?iaea ?acoeueoaoia, ocaaaeueiaiiy,
co?oeoo?ii-coaoecoe/iee aiaeic, oai?aoe/ia iaa?oiooaaiiy iciiaieo
iieiaeaiue aeeca?oaoei?. ?ic?aooiee aeaeo?iiii? co?oeoo?e ia?ieceeueieo
?aaeeeaeia i?iaaaeaii Eieiii?oeue E.I., ?iaioe ii aaeaioaoei? aei
aeei?ecoaieo aia?aoieo caciaia iaoaiaoe/iiai caaacia/aiiy oa ?ic?aooiee
aeeiea?aiia i?iaaaeaii Ca?i/iith I.I. Ca ?acoeueoaoaie oeeo ?iaio iiae
ea?iaieoeoaii aaoi?a ieie aoee caoeuaii eaiaeeaeaocueei aeeca?oaoei?. A
iaaiai?aiii ie?aieo ?acoeueoaoia a?aee aaciica?aaeith o/acoue aeaaeaiie
IAIO Eo/a? ?.A. oa i?io. Iiaeaea E.I.

Iacya oa co?oeoo?a ?iaioe. Aeeca?oaoeieia ?iaioa ceeaaea?ouecy c acooio,
7 ?icaeieia, caeeth/aiiy, aeciiaeia oa cieceo eioa?aoo?e. ?iaioa
aeeeaaeaia ia 235 coi?iieao iaoeiiieciiai oaecoo, iicoeoue 31 iaethiie,
61 oaaeeoeth, ciecie eioa?aoo?e, yeee iicoeoue 275 iaeiaioaaiue.

Ia?oee ?icaeie i?ecay/aii ei?ioeiio iaeyaeia? eioa?aoo?e c iciiaieo
aeaiaioa?ieo ?aaeoeie ?iaeeiiioaciiai ieeciaiiy i?aaii/ieo ciieoe oa
i?iaeai ?ic?aooieo cecoai c cae?eoeie i aiaee?eoeie aeaeo?iiieie
iaieiieaie o ?aieao iaoiaeo I*IAeI/3. O ae?oaiio ?icaeiei iaaaaeaii oa
iaaiai?aii ?acoeueoaoe ?ic?aooieo aeaeo?iiii? co?oeoo?e,
oiceei-oiii/ieo oa iaaiioii-?aciiaicieo ia?aiao?ia aeeieueieo,
aaiceeueieo oa ia?ieceeueieo ?aaeeeaeia o ?icieo iaaeeaeaiiyo iaoiaeo
I*IAeI/3. O o?aoueiio ?icaeiei i?eaaaeaii ?acoeueoaoe aeiceiaeaeaiue
ooai?aiiy i?iiiaeiiai i?iaeoeoo a ?aaeoei? ?aeiiaiiaoei? ia?ieceeueieo
?aaeeeaeia oa aeueoa?iaoeaieo eaiaeia eiai ?iceeaaeo. O /aoaa?oiio
?icaeiei aeaii ?acoeueoaoe ?ic?aooieo aeaeo?iiii? co?oeoo?e,
oa?iiaeeiaii/ieo, ciaeo?aeueieo oa?aeoa?ecoee iieaeoe iioiaeieo a?aiia
oa ?o coaoecoe/iee aiaeic. O i’yoiio ?icaeiei i?eaaaeaii ?acoeueoaoe
aeiceiaeaeaiue IC ?aaeoei? aiiieioe/iiai aiae?eao aoiio aiaeith
ia?ieceeueieie ?aaeeeaeaie aiae i?aaii/ieo iieaeoe. Aeaii iaa?oiooaaiiy
iiaeaei ?ICIC. Oicoee ?icaeie i?ecay/aii cacoicoaaiith iiaeaei ?ICIC aei
eiie?aoieo, aecia?eiaioaeueii aea/aieo, ?aaeoeie aiae?eao aoiia aiaeith
ia?ieceeueieie ?aaeeeaeaie. O cueiiiio ?icaeiei i?aaecoaaeaii
?acoeueoaoe aeiceiaeaeaiue IC ?aaeoei? iciia?ecaoei? ia?ieceeueieo
?aaeeeaeia oa i?ecoicoaaiiy iiaeaei ?ICIC aei ?ic?aooieo aeoeaaoeieieo
ia?aiao?ia oei?? ?aaeoei?.

EAAIOIAI – OIII*IEE ?IC?AOOIIE AEAEO?IIII? CO?OEOO?E OA OICEEI-OIII*IEO
OA?AEOA?ECOEE ?AAeEEAEIA OA IIEAEOE – ?AAEOAIOIA O AEAIAIOA?IEO
AIIIEIOE*IEO ?AAEOeIssO IA?IECEEUeIEO ?AAeEEAEIA.

Aeiceiaeaeaii aieea iiceiaeiaiiai a?aooaaiiy iaiiiieo oa ei?aeyoeieieo
iii?aaie o iaoiaei I*IAeI/3 (IA, IOO, IOO, EA) ia ?acoeueoaoe
?ic?aooie?a eiioi?iaoeieieo aeacoeaicoeainoae (-aeaeo?iiieo ?aaeeeaeia
(( – oi?ia), yei aiaceiaeie aioo?ioiueiai iaa?oaiiy iiaeooue
ia?aoai?thaaoecue o (-aeaeo?iiii (( – oi?ia). Ia’?eoaie aeiceiaeaeaiiy
aoee aeieueiee oa aaiceeueiee ?aaeeeaee, a oaeiae ?o iaoeecaiiuaii
iioiaeii: CI2CICI((CI3), CI2CIC((CI3)2, ?hCI((CI3) oa ?hC((CI3)2.
Acoaiiaeaii, ui iaaeeaeaiiy IA o aeiaaeeo ?hCI((CI3) oa ?hC((CI3)2
aeacothoue ia coaaieueiicoue ( – oi?ie. Iieacaii, ui iaaioue aiaeiicii
iaaaeeea ei?aeoeiy aia?ai? IA o IOO caeaoia i?eioeeiiai ciiieoe aeciiaie
i?i eiioi?iaoeieii aeacoeaicoi cecoaie. *acoeiaa aeeth/aiiy aoaeoia
aeaeo?iiii? ei?aeyoei? o EA i?eaiaeeoue aei coaaieicaoei? (- oi?ie aeey
acio ?ic?aoiaaieo ciieoe.

?ic?aoiaaia aeaeo?iiia co?oeoo?a ?yaeo aeeie- oa aeeiea?eeia?ieceeueieo
?aaeeeaeia. Ca ca?yaeiaei ?iciiaeieii ia?ieceeueii ?aaeeeaee ? iiey?ieie
/acoeieaie c ?iciiaeieii ca?yaeo iiae ia?ieceaeiith a?oiith (iaaeeeoie
aeaeo?iiii? aocoeie) oa ?aooith ?aaeeeaeo. Iacia?aiee aeaeo?ii iaeaea
iiaiicoth eieaeiciaaiee ia aoiiao ia?ieceaeii? a?oie, i?e/iio ia
e?aeiueiio aoiii eecith 0.6-0.7 aeaeo?iia oa i?eaeecii 0.3 ia
aioo?ioiueiio. Iioaioeiaee iiiicaoei?, ye i?aaeei, ia?aaeuothoue 10 aA
oa aiaeiiaiaeathoue aia?ai? (*-i?aioe ?aaeeeaea, eieaeiciaaii? ia aoiiao
ia?ieceaeii? a?oie. ?aaeeeaee iathoue iecueeieaaea/ee caoaeaeaiee coai,
iia’ycaiee c n((* ia?aoiaeii i?eaeecii a 1 aA. Acoaiiaeaii, ui oeae
ia?aoiae coiiaeth? aeciea cia/aiiy g-oaeoi?a (2.014 – 2.020) ciaeo?ia
AI?. Oiaoi, ia?a?aoiaaii oiceei-oiii/ii aeacoeaicoi ia?ieceeueieo
?aaeeeaeia, a iniiaiiio, aecia/athouecy aeacoeaicoyie ia?ieceaeii?
a?oie.

?ic?aoiaaii oa?aeoa?ecoeee aeaeo?iiii? co?oeoo?e iieaeoe iioiaeieo
a?aiia : iieiiaoee-, iieiaoee-, iieiicii?iiieaaicieia, a?iiaoe/ieo
aeueaeaaiaeia oa ?o iioiaeieo (iaaeaieo o oaa.7), a oaeiae ?aaeeeaeia,
yei ooai?ththouecy c ieo ca ?aaeoei?th (1), aiaceiaeie ?ic?eao (-C-I
ca’yceo. Acoaiiaeaii, ui, iiaeeeai, aiaceiaeie ia?aioeiiee
yaea?-yaea?iiai aiaeooiaooaaiiy o aeei?ecoaiiio iaoiaei ?ic?aooieo, o
aeiaaeeo iayaiicoi o aaicieueiiio eieueoei caiicieeia a
i?oi-iieiaeaiii, iioeiicaoeiy aaiiao?i? i?ecaiaeeoue aei aeaoi?iaoei?
aaicieueiiai eieueoey, ui ii?ooo? ci?yaeaiiy ( – aeaeo?iiia eieueoey i,
ye iaceiaeie, aei caieueoaiiy aioaeueii? ooai?aiiy aiaeiiaiaeieo iieaeoe
oa ?aaeeeaeia. Coaoecoe/iee aiaeic iieaco?, ui aeaiee aeaoaeo iaoiaeo
i?ecaiaeeoue aei cecoaiaoe/ii? iiieeee o ?ic?aooieo oiceei-oiii/ieo
aeacoeaicoae i?oi-caiiuaieo iieaeoe a?aiia oa aiaeiiaiaeieo ?i
?aaeeeaeia, yeee aeicoaoiuei i?icoi iiaeia a?aooaaoe aaaaeaiiyi
aiaeiiaiaeiiai iie?aiaioo. Oae, aeey aioaeueii? ooai?aiiy iieaeoe
caiiuaieo a?aiia iaea?aeaii iacooiia ?iaiyiiy aaaaoiia?aiao?iai?
eiiieii? ei?aeyoei?:

(IRH (aeni.)= -(46.40(5.64) + (1.00(.05).(IRH (?ic?.)- (13.15(1.08).nor
(4)

n = 24 R = 0.977 S = 19.64 (eAeae/iieue) F = 237.2 p = .0000

aea nor – ia?aiao?, yeee oa?aeoa?eco? eieueeicoue i?oi-caiiuaieo
iieiaeaiue o aaicieueiiio eieueoei. Aeey aaiceeueieo ?aaeeeaeia,
io?eiaieo ic iieiiaoeeaaicieia, aiaeiiaiaeia ?iaiyiiy ia? aeaeyae:

(IR (aeni.)= -(111.00(17.16) + (1.33(.08).(IR(?ic?.) – (11.68(1.79).nor
(5)

n = 7 R = 0.986 S = 4.22 (eAeae/iieue) F = 122.08 p = .0001

I?e oeueiio ?ic?aooiie ?aaeeeaeia i?iaiaeeacy c iaiaaeaiei a?aooaaiiyi
EA (111 eiioiao?aoeie) c iioeiiciaaiith aaiiao?i?th, yea aoea io?eiaia o
iaaeeaeaiii “IA”. Aiaeiai/ii caeaaeiicoi iaea?aeaii aeey ioeiiee
iioaioeiaea iiiicaoei?:

IRH(aeni.) = (.97(.00).IRH (Eoii.) – (.05(.01) .nor (6)

n = 40 R = 0.999 S = (0.178 (aA) F = 51691 p = 0.0000

(IRH (Eoii.) – iioaioeiae iiiicaoei?, ioeiiaiee ca oai?aiith Eoiiaica),
a oaeiae aeey aia?ai? aeaeo?iiiiai ia?aoiaeo O1 (( S0 ciaeo?ia
oicoi?acoeaioei? iieaeoe iieiiaoeeaaicieia:

(oo = (1.01(.00).(o,o(?ic?.) + (295.05(47.32) .nor (7)

n=9 R = 0.999 S = 225.52 (ci-1) F = 70906.7 p = 0.0000

A icoaiiueiio aeiaaeeo ?ic?aooiie i?iaiaeeacy c iaiaaeaiei o?aooaaiiyi
EA (acueiai a?aoiaoaaeicy 79 iaeiie?aoii- oa aeaie?aoiicaoaeaeaieo
aeaeo?iiieo eiioiao?aoeie). Aeey aieueo iiae i’yoaeacyoe i?aaii/ieo
ciieoe i?iaaaeaii ?ic?aooiie aia?aie ?ic?eao C-I-c’ayceia, yei
ciaoiaeyouecy o (-iieiaeaiii aei iiaeaieiiai ca’yceo. Acoaiiaeaii, ui a
eiaeiiio c ?icaeyiooeo ?yaeia iieaeoe caiiuaieo a?aiia ?ic?aoiaaia
aia?aiy ?ic?eao (-C-I-ca’yceia (DC-H) i?aeoe/ii ia ciiith?ouecy. Ciiie
DC-H i?e ia?aoiaei aiae iaeiiai eeaco aei ae?oaiai cia/ii, i ?o
oaiaeaioeiy aiaeiiaiaea? ciiiai aecia?eiaioaeueieo cia/aiue:
iaoeeaaicie (DC-H = 356 eAeae/iieue) ( aoeeaaicie (DC-H = 332
eAeae/iieue) ( icii?iiieaaicie (DC-H = 312 eAeae/iieue) (
aaicaeueaeaaiae (DC-H = 303 eAeae/iieue).

?AAEOeIss ?AEIIAIIAOeI? IA?IECEEUeIEO ?AAeEEAEIA .

Aeaeo?iiia co?oeoo?a oao?aieceaeia.

Oao?aieceae – ia?oee c i?iiiaeieo i?iaeoeoia ?aaeoei? ?aeiiaiiaoei?
RO2., eiai aeaeo?iii? aeacoeaicoi oa eiioi?iaoe?y aecia/athoue iaoaiici
iiaeaeueoiai eiai ?iciaaeo. Ia i?eeeaae? iaei?icoioeo i?aaecoaaieeia OI,
ui iiaeaeththoue ?o iniiai? eeane: I2O4, CI3I4H, CI3I4CI3,

Oaaeeoey 1.

?iciiae?e ca?yae?a(q), aeeiieueiee iiiaio((,D), iioaioe?ae ?ii?caoe??
(I,aA) iieaeoe OI oa aioaeuei?y ooai?aiiy ((Hf0,eAeae/iieue)

OI H2O4 CH3O4H CH3O4 CH3 C2H5O4H (CH3)2CHO4H (CH3)3CO4H

o?ain oeen. o?ain oeen o?ain oeen o?ain oeen o?ain

qO4 -0.247 -0.208 -0.202 -0.203 -0.213 -0.228 -0.222 -0.247 -0.239
-0.263

qO1 0.032 0.020 0.008 0.016 0.023 0.022 0.010 0.016 0.004 0.130

qO2 0.020 0.026 0.036 0.016 0.024 0.025 0.033 0.022 0.034 0.020

qO3 -0.237 -0.240 -0.245 -0.203 -0.213 -0.241 -0.245 -0.242 -0.246
-0.242

qH 0.215 0.215 0.212 – – 0.214 0.211 0.213 0.210 0.210

qC – 0.345 0.348 0.346 0.351 0.360 0.362 0.349 0.350 0.320

( 2.361 2.230 1.930 0.259 1.970 2.510 1.900 2.686 2.220 2.780

I 11.021 10.621 10.600 10.370 10.440 10.480 10.460 10.290 10.330 10.180

(Hfo -16.58 -12.69 -11.74 -9.70 -3.59 -68.99 -67.86 -85.98 -87.53 -69.58

C2I5I4I, (CI3)2CII4I, (CI3)3CI4I, aoei aeine?aeaeaii eiioi?iaoeieii
iciaeeaicoi oa iciiaii aeaeo?iiii oa?aeoa?ecoeee a caeaaeiino? a?ae
no?oeoo?e, ?acoeueoaoe iaaaaeaii o oaae.1.

Acoaiiaeaii, ui IIA aeey ca’ycaiiai iaa?oaiiy aeeieueiiai caiicieea
iaaeiei ca’yceo C-I oa oeaio?aeueiiai ia?ieceaeiiai ca’yceo I-I o
iieaeoei CI3I4I ia? oicoue /ioei ae?aaeaieo iiiiioiia (iae.1a). O?e
iiiiioie aiaeiiaiaeathoue o?aic-iieiaeaiith iaoeeueii? a?oie aiaeiicii
(-aoiio eecith, ?aooa o?e aiaeiicyouecy aei oeec-eiioiao?aoeie.
Aa?’?? aeey ia?aoiaeo c o?aic- o oeec-eiioiao?aoeith aei?iaith? ~ 8
eAeae/iieue. Caiiuaiiy iaoeeueii? a?oie o iieaeoei OI ia o?ao-aooeeueio
i?ecaiaeeoue aei cieeiaiiy oeeci?aeiiai eiioi?ia?o (iae.1a). Oiaoi,
ia?aeiii oa aoi?eiii ia?ieceeueii ?aaeeeaee ?aeiiaiiothoue c
ooai?aiiyi oeeci?aeii? oa o?aici?aeii? eiioi?iaoeie OI.

Iae.1 Iiaa?oii iioaioeiaeueii? aia?ai? aeey ca’ycaiiai iaa?oaiiy
caiicieeia o OI – a) (CI3)3CO4I ; a) CI3CO4I ;

C aeaio eiioi?iaoe?e eeoa oeeci?aeia ? c?o/iith aeey ia?aaiao ?aaeoei?
(2) ca iaoaiiciii ?accaea:

(8)

?acoeueoaoe ia/eneaiue iieacothoue, ui o?aoeiii ia?ieceeueii ?aaeeeaee
ooai?ththoue OI oieueee o o?aici?aeiie eiioi?iaoei?, yea aieueo ci?ey?
?aaeicaoei? iaoaiicio Aeaioa?a:

Oa?aeoa?iith iniae?a?noth aeaeo?iiii? no?oeoo?e OI (oaae.1) ? oa, ui
oeaio?aeueii aoiie eecith ? iaeaea aeaeo?iiaeo?aeueieie, a e?aei?
aeicoaoiuei iiey?eciaaieie, a iioaioeiaee iiiicaoei? a?eueoa 10 aA,
oiaoi, o oeieiio, oao?aieceaeia a?oia ? aeaeo?iii-aeoeaioi?iith.
Aa?oeeaeueiee iioaioeiae iiiicaoei? o iieaeoeao RI4I ciiith?ouecy o
caeaaeiicoi aiae co?oeoo?e R o ?yaei: ia?a-R ( aoi?-R ( o?ao-R.

Aecia?eiaioaeueieie aeaieie, ca yeei iiaeia ioeiieoe aeinoia??i?noue
io?eiaieo ?acoeueoao?a, ? aeaii c eieeaaeueii? ciaeo?iceiii? I2O4
(oaae.2), oai aea i?eaaaeaii ?acoeueoaoe ?ic?aooieo aaeaioieo eieeaaiue
oao?aieceaeiiai o?aaiaioo o I2O4 oa CI3O4I, io?eiaii o iaaeeaeaiii
aa?iiii/iiai icoeeeyoi?a. Ciicoa?iaa?ouecy caaeiaieueia aeey
iaiiaaiii?e/iiai ?ic?aooieo ciiaiaaeiiiy aecia?eiaioaeueieo oa
?ic?aoiaaieo /acoio ii?iaeueieo eieeaaiue iieaeoee I2O4. Aaaaeaiiy
iaoeeueii? a?oie (iieaeoea CI3O4I) ia aeeeeea? cooo?ai? ciiie /acoio
eieeaaiue eeciaaiai o?aaiaioo, ui caiae/eoue i?i oa?aeoa?ecoe/iicoue
oaeeo eieeaaiue.

Oaaeeoey 2

*acoioe aaeaioieo eieeaaiue OI (ci-1).

Oei eieeaaiue I2O4 CH3O4H (?ic?.)

aeci. ?ic?. O?aic oeec

(II 3200 – 3800 3818, 3822 3823 3819

(II 1260 – 1280 1211, 1254 1187, 1236 1187, 1233

(IwIw 850, 997 1109 1114 1114

Iiaa?oii iioaioeiaeueii? aia?ai? ?aaeoei? ?aeiiaiiaoei? o?aoeiieo
ia?ieceeueieo ?aaeeeaeia.

C iaoith aeine?aeaeaiiy ye caeaaeeoue iaoai?ci ?aaeoe?? ia?eao
eaioetha?a a?ae o?i?/ii? no?oeoo?e ia?ieneeueiiai ?aaeeeaeo ?ic?aoiaaii
aia?aaoe/ii i?ioiei ?aaeoeie ooai?aiiy OI c ia?iene?aaeeeaeia

CI3O2(.+ IO2( ((. CI3O4I (10)

oa aeueoa?iaoeaieo oeyoia ?iceeaaeo ooai?aiiai OI:

(((( RI(. + I2 + RI(. (ceio?iiiee ) (11)

RO4R

(((( RI3(.+ RI(. ((( 2RO(. + O2; (iaceio?iiiee) (12)

?ic?aooiee aeeiiaii c a?aooaaiiyi EA aeey iaeii- oa aeaie?aoii
caoaeaeaieo aeaeo?iiieo eiioiao?aoeie (79 eiioiao?aoeie). sse
eii?aeeiaoe ?aaeoeie (10 – 12) aeei?ecoiaoaaeecue ia?aiiuaiiy (Q) aoiiia
eecith oao?aieceaeiiai o?aaiaioo (13 – 15), yei aiaeiiaiaeathoue iiaeai
ii?iaeueieo eieeaaiue aoiiia oeueiai o?aaiaioo.

Q12

CI3OO(((((( OOI (((( CI3O4I (13)

Q14 Q23

CI3O(((((( O2(((((( OI (((( NI3O(. + O2 + (.II (14)

Q1

CI3O(((((( OOOI (((( CI3O(. + IO3(. (15)

Ia ?en.2 iaaaaeaii ?acoeueoaoe ceaioaaiiy IIA cecoaie (10) ca
eii?aeeiaoith ?aaeoei? Q12, yea aiaeiiaiaea? ?aaeoei? ooai?aiiy OI c
ia?ieceeueieo ?aaeeeaeia. Iciiaiee oa?i S0 i?ioiaeeoue /a?ac iaeceioi c
(A = 0.8 aA (77 eAeae/iieue).

Iae.2 Aia?aaoe/iee i?ioieue ?aaeoei? ooai?aiiy CI3O4I.

, ?icuaieaiiy iiae oa?iaie S1 oa S2 aiaeiicii S0 coaiiaeoue 1,03 aA(99
eAeae/iieue) oa 1.07 aA (103 eAeae/iieue) aiaeiiaiaeii.
Aecia?eiaioaeueia cia/aiiy ieaeiueiai ia?aoiaeo 2A(((2A’ aeey
icieueiaaieo ?aaeeeaeia II2(. oa CI3I2(. coaiiaeoue 0.873 aA (84
eAeae/iieue) oa 0.915 aA (88 eAeae/iieue) aiaeiiaiaeii. ?icuaieaiiy iiae
oa?iaie S1 oa S2 o oeie oi/oei coaiiaeoue 0.04 aA (4 eAeae/iieue), ui
iaeaea oi/ii aiaeiiaiaea? ?icieoei aecia?eiaioaeueieo aia?aie ia?aoiaeia
o oeeo ?aaeeeaeao. sse i ceiae aoei i/ieoaaoe, ?aeiiaiiaoeiy
?aaeeeaeueiie ia?e o O1-coaii iaiiaeeeaa. Ii ii?i ooai?aiiy i?iaeoeoa O1
coai caiaeeouecy aei n(*-caoaeaeaiiy OI (o ?aeiii IC ((O1) (
0,948((12(12* + …).

, oa?i ia? iaeceioi c aaee/eiith (A = 1.58 aA (152 eAeae/iieue).
I?e?iaea aia?aaoe/iiai aa?’??o iia’ycaia, ye o aeiaaeeo cecoaie(10), c
aeacoaaieicoth/ei aoaeoii iaiiaeieaieo aeaeo?iiieo ia? aoiiia eecith
(iae.3), yei o IN ciaoiaeyouecy o ieaia?iiio iieiaeaiii aiaeiicii iaeei
iaeiiai.

coaiiaeoue 0.75 aA (72 eAeae/iieue), ui aei?iaith? iioaa?aeia? h?p’ oa
aia?ai? 1(g(3(g- ia?aoiaeo iieaeoee I2 o iaoiaei I*IAeI/3.
Aecia?eiaioaeueia cia/aiiy aeaeo?iiiiai ia?aoiaeo 1(g(3(g- aei?iaith?
0.98 aA (94 eAeae/iieue).

Iae.3 Aia?aaoe/ii i?ioiei ?aaeoei? ?iceeaaeo CI3O4I ( a -iaceio?iiiiai,
a – ceio?iiiiai iaoaiiciia).

iciiaiee oa?i S0 i?ioiaeeoue iaeceioi c aaee/eiith aa?’??o 3.24 aA
(313 eAeae/iieue). O IC oei?? ?aaeoei? oaeiae ciicoa?iaa?ouecy ieaia?ia
?icoaooaaiiy iaiiaeieaieo aeaeo?iiieo ia?, yea i?ecaiaeeoue aei
aeacoaaieicaoei? oeueiai coaio. Aiaeic aeeaaeia eiioiao?aoeie o
oaeeueiao ooieoeith iciiaiiai coaio ((I) iieacaa, ui eiee cecoaia
?ooa?ouecy aei IC, aiacie ioeueiai? eiioiao?aoei? caieiooi? iaieiiee
ciaioo?ouecy, i iicey oi/ee ia?aaaeo coa? cieeath/a iaeei (oiaoi,
aiaeaoaa?ouecy ?icea ciiia iaai?o eiioiao?aoeie). Oea ? caiae/aiiyi
oiai, ui ceio?iiiee iaoaiici ? caai?iiaiei ii ceiao?i?, aiaceiaeie /iai
cecoaia ?ic?aoiao?ouecy aecieei cia/aiiyi aia?ai? aeoeaaoei?.

IA?AOIAeII COAIE ?AAEOeI? AIAe?EAO AOIIA AIAeITH IA?IECEEUeIEIE
?AAeEEAEAIE.

Iiooe ia?aoiaeieo coaiia iiaeaeueieo ?aaeoeie i?iaeiaaeaiiy eaioethao.

Aeey anoaiiaeaiiy iniiaieo caeiiii??iinoae o ci?iao no?oeoo?e IN a
caeaaeiino? a?ae aeanoeainoae N-I cayce?a oa aeoeaiino? ia?ieneeueiiai
?aaeeeaeo aoei i?iaaaeaii iiooe ia?aoiaeieo coaiia iacooiieo ?aaeoeie:

CI2=CI-CI3 + II2(. (( CI2=CI-CI2(.+ I2I2 (16)

CI2=CI-CI2CI3 + II2(. (( CI2=CI-CI(-CI3 + I2I2 (17)

CI2=CI-CI(CI3)2 + II2(. (( CI2=CI-C((CI3)2 + I2I2 (18)

I2C=I + II2(. (( I-(C=I + I2I2 (19)

CI2=CI-CI3 + C(I)I2(. (( CI2=CI-CI2( + C(I)I2I (20)

I2C=I + C(I)I2(. (( I-(C=I + C(I)I2I (21)

Ine?eueee iiooe oi/ee i?i?iaeno ia iioaioe?aeueieo aaaaoiaei??ieo
iiaa?oiyo ?aaeoe?e o aeiaaeeo aaaaoiaoiiieo ?aaeoaio?a ? aeineoue
neeaaeiith caaea/ath, aeey eieaeicaoei? IC ?aaeoeie (16-21) aoea
?ic?iaeaia ciaoeiaeueia iaoiaeeea, yea ceeaaea?ouecy c o?ueio aoaiia
iiooeo. Iciiaia iaeay iieyaa? o ?iceeaaeaiii acueiai i?icoi?o ciiiieo,
yei iiecothoue iieiaeaiiy yaea? “eaaciiieaeoey?ii?” cecoaie, yeith ? IC,
ia iiaei?icoi? eii?aeeiaoe ?aaeoei? Q=f(RCH,ROH) oa iiaei?icoi? ?aooe
iacaeaaeieo ciiiieo {X}. Aeaei aeei?ecoiao?ouecy aeacoeaicoue
iaaeeaeaiiy ioeueiaiai aeeoa?aioeieiiai ia?ae?eaaiiy, caiaeii c yeei
iiaio aia?aith cecoaie iiaeia aeaoe o aeaeyaei coie aeaioaoiiieo oa
iaeiiaoiiieo ceeaaeiaeo. O oeueiio aeiaaeeo icio? ?aeeiee ia?aoei ia
iiaa?oii iioaioeieii? aia?ai?, iaea?aeaiee ca oiiae:

H…OOR (Q) (22)

H…B (Q) (23)

Ooo EA-H – aeaioaoiiii aia?ai? aoiiia A o?aaiaioo R c aoiiii I oa EH-B –
aeaioaoiiii aia?ai? aoiio I c aoiiaie A o?aaiaioo RII. Io?eiaiee ia?aoei
IIA ? e?eaith ia?aaiei/iiai oeio, ii?iaeueiith aei eiii? o?aiceyoei?, c
iiiiioiii o ?aeiii ia?aaaeo. Ia ae?oaiio aoaii eieaeicaoei?, o oi/oei
iiiiioio e?eai? Eeq ?ica’yco?ouecy cecoaia iia’ycaieo ?iaiyiue: ((Q)=0
oa ((X)=0 (aea ( – ii?ia a?aaei?ioo). Ia?oa ?iaiyiiy ?ica’ycoaaeicue
iaoiaeii i?yiiai /eceiaiai iiooeo; o eiaeiie oi/oei ?icayceo oeueiai
?iaiyiiy i?iaiaeeeacue iiiiiicaoeiy aia?ai? aiaeiicii ciiiieo O (ae?oaa
?iaiyiiy) ca iaoiaeii Oeao/a?a. I, ia?aooi, ia o?aoueiio aoaii
i?iaiaeeouecy iaeaioeoieaoeiy ciaeeiai? oi/ee: ia/eceth?ouecy aaciai,
i?iaiaeeouecy eiai aeiaaiiaeicaoeiy oa ia?aai?y?ouecy aeeiiaiiy oai?aie
Ia??aea-Eaeaeea?a aeey ciaeaeaii? co?oeoo?e IC. Aeey acio IC io?eiaii
?aeeii cia/aiiy oyaieo /acoio (( (-1683, -1511, -1627, -1550, -890 oa
-931 ci-1 aiaeiiaiaeii), yei aiaeiiaiaeathoue iiaei aioeceiao?e/iiai
eieeaaiiy C (((.I (((.I, oiaoi aoiie ?aaeoeieiiai oeaio?o eaaeaoue ia
iaeiie i?yiie: C (( I((.(( I.

Aeey ciaeaeaieo co?oeoo? IC i?iaaaeaii ?ic?aooiie coie eaaae?aoia
iac-caaaeaieo ci?i (di) aeaea?oiaeo eii?aeeiao aoiiia a IN a ii??aiyii?
c aeo?aeieie no?oeoo?aie:

i.{(xi’-xi)2+ (yi’- yi)2 + (zi’- zi)2} (24)

Eii?aeeiaoe, aiaeii/aii oo?eoii, aiaeiicyouecy aei IC, a aac oo?eoa aai
aei aeoiaeiiai coaio ?aaeoaioia aai aei eiioeaaeo i?iaeoeoia.
?ic?aoiaaii cia/aiiy Dm2 iaaeaii a oaae.3.

Oaaeeoey 3

Cia/aiiy coie eaaae?aoia iac-caaaeaieo ci?i aeaea?oiaeo eii?aeeiao
aoiiia IC aiaeiicii aeoiaeiiai oa eiioeaaiai coaiia ?aaeoeie (16 – 21).

2 )

_?aaeoeiy aiaei.?aaaaioia aiaei.i?iaeoeoia

(16) 0.01 20.04

(17) 0.07 30.04

(18) 0.02 49.68

(19) 0.01 0.06

(20) 0.03 23.17

(21) 0.08 0.90

sse aeoiaeeoue c io?eiaieo ?acoeueoaoia, co?oeoo?a IC yaey? ciaith ceaai
ci?iaio cooeoo?o ?aaeoaioia i ciaoiaeeouecy aeiceoue aeaeaei aiae
i?iaeoeoia ?aaeoei?, oiaoi ie ia?ii ci?aao c (?aiiii ia?aoiaeiei
coaiii(.

?ic?aooiie eiiaoe/ieo aeoeaaoeieieo ia?aiao?ia iiaeaeueieo ?aaeoeie.

O oaaeeoei 4 iaaaaeaii ?aic?aoiaaii aeoeaaoeieii oa eiiaoe/ii ia?aiao?e
?aaeoeie (16-21): aioaeueii? aeoeaaoei? (H(, Q – oaieiaee aoaeo, kpaeni
– aecia?eiaioaeueii ca?aaeii cia/aiiy eiicoaio oaeaeeicoi c
eoiieia?ieceeueiei ?aaeeeaeii aeey iieaeoe i?aaii/ieo ciieoe, yei
iicoyoue ia?aeiiee, aoi?eiiee, o?aoeiiee oa aoeeeueiee C-I ca’ycee, ui
ciaoiaeyouecy o (-iieiaeaiii aei iiaeaieiiai ca’yceo (?aaeoei? (16-19)),
oieoieo oa aaicaeueaeaaiaeo c ia?ieceeueiei ?aaeeeaeii aaicaeueaeaaiaeo
(?aaeoei? (20,21)) i?e 348E, (ki/k3 – aiaeiioaiiy ?ic?aoiaaii? eiicoaioe
oaeaeeicoi i-oi? ?aaeoei? aei eiicoaioe oaeaeeicoi ?aaeoei? (18); A –
?ic?aoiaaii cia/aiiy i?aaeciiiaioia; o icoaiiueiio coiaioei iaaaaeaii
i?eaaaeaiee aei ?aaeoei? (18) aeciiiaioeieiee /eai ?iaiyiey A?aiioca.
?ic?aooiie ia?aaeaeciiiaioia A ca io?eiaiei cia/aiiyi aio?iii?
aeoeaaoei? (oaae.6) aea? aaee/eio ii?yaeeo 106 – 107 e/iieue.c, ui
eaaeeoue o iaaeao aecia?eiaioaeueieo cia/aiue (104 -107 e/iieue.c).
Ci?ie ?ic?aoiaaieo aia?aie aeoeaaoei? ? ceiaaoieie aei ci?i
aecia?eiaioaeueieo aaee/ei, iaeiae ca aaciethoiei cia/aiiyi ?ic?aoiaai?
cia/aiiy aia?a?e aeoeaaoe?? ? caaeuaieie ia 40-50 eAeae/iieue. Aiaeiicii
cia/aiiy eiicoaio k?/k3 aeia?a ocaiaeaeothouecy c aecia?eiaioaeueieie
aaee/eiaie, ca aeeeth/aiiyi aiiiaeueii aecieiai cia/aiiy aeey ?aaeoeie
(19) oa (21). Aiaeic aiaeiicieo aaee/ei ao?[(A3-A?)/RO] aeciiiaioeieiiai
/eaio ?iaiyiiy A?aiioca aea? aeaui e?aua ocaiaeaeaiiy c
aecia?eiaioaeueiei ?yaeii ?aaeoeieii? caeaoiicoi.

Oaaeeoey 4.

Aeoeaaoeieii oa eiiaoe/ii ia?aiao?e ?aaeoeie(16 – 21).

?aaeoe?y (H(

eAeae/iieue Q

eAeae/iieue k?aeci

e/iieue.nae k?/k3 A

e/iieue.nae ao?[(A3-A?)/RO]

(16) 93.8 6.9 0.2 0.2 8.6 106 0.1

(17) 89.1 -27.6 0.6 0.4 2.5 106 0.5

(18) 87.3 -57.9 1.0 1.0 3.2 106 1.0

(19) 74.9 -27.5 50.0 16.0 102 3.6 107 150.0

(20) 82.0 -10.9 15.8 7.4 2.9 106 8.4

(21) 69.0 -45.2 15.8 103 45.6 102 8.9 106 16.7 102

Aeaeo?iiii aeacoeaicoi IC.

O oaae.5 iaaeaii ?iciiaeie ci?iiai? oa ca?yaeiai? aocoeie ia o?aaiaioao
?aaeoeieiiai oeaio?o ?aaeoeie (16 – 21). Ca ?iciiaeieii ciiiiai? aocoeie
co?oeoo?e IC aieueo aeecueei aei co?oeoo?e ?aaeoaioia. A oie aea /ac,
cia/ia /acoeia ciiiiai? aocoeie cica?aaeaeaia ia aeeieueiiio o?aaiaioi
R (oiaoi aiaeaoaa?ouecy ooai?aiiy ?aaeeeaeo R.). Ci?iiaa aocoeia ia
ia?ieceaeiiio o?aaiaioi caieueoo?ouecy i?e ia?aoiaei aiae ?aaeoei? (16)
aei ?aaeoei? (21), oiaoi IC (21) ? (iae?aiiioei( ic ocio IC, a IC (16) –
(iaeiiciioei(.

Oaaeeoey 5.

Ci?iiaa aocoeia (((), ca?yaee (q() ia o?aaiaioao IC ?aaeoeie (16 – 21).

?aaeoe?y (( q(

R H O2r R H O2r

(16) 0.4807 -0.1737 0.6930 0.0218 0.1105 -0.1323

(17) 0.4322 -0.1684 0.7362 0.0349 0.0855 -0.1204

(18) 0.4352 -0.1752 0.7400 0.0468 0.0737 -0.1205

(19) 0.4234 -0.1911 0.7674 0.0854 0.0148 -0.1002

(20) 0.3735 -0.1375 0.7640 0.0561 0.0808 -0.1369

(21) 0.3456 -0.1543 0.8087 0.1232 -0.0122 -0.1110

(R – aeeieueiee o?aaiaio, a O2r – ia?ieceaeiee o?aaiaio IC)

A IC ?aaeoeie (16-21) ciicoa?iaa?ouecy cooo?aee ?iciiaeie ca?yaeia,
yeee iiaeia o?aeooaaoe ye ia?aiic aeaeo?iii? aocoeie c iieaeoey?iiai
o?aaiaioo RI ia ia?ieceeueiee ?aaeeeae rI2( (oaae.5). I?e/iio,
ciicoa?iaa?ouecy aioeaaoia caeaaeiicoue iiae aaee/eiith ia?aiacaiiai
ca?yaeo q(R oa aioaeueii?th aeoeaaoei? ?aaeoei? (H(, oiaoi /ei aieueo
iiey?eciaaiee IC, oei iaioa aioaeueiiy aeoeaaoei?:

(H( = (97.84(1.50) – (247.07(21.47).q(R (25)

R = 0.985 S= 1.78 F = 132.4 p = 0.0003

Iaea?aeaiee ?acoeueoao aiaee?eaa? ia?ciaeoeae aeey ioeiiee aia?ai?
aeoeaaoei? o ?aaeoei? (1), aea aeey oeueiai iaiaoiaeii ciaeoe
ooieoe?eiee ca’ycie iiae aaee/eiith ia?aiico ca?yaeo o IC ?aaeoei? oa
oa?aeoa?ecoeeaie aeaeo?iiii? aoaeiae icieueiaaieo iieaeoe ?aaaaioia.
Eia?/ii ooeaoe oeae caycie o aeaeyae? ooieoe??, ia?aiao?aie yei? ?
ca?yaee ia aoiiao ?aaeoe?eiiai oeaio?o oa aaee/eie aia?a?e aeui? caiyoi?
i?a?oae? iieaeoee ? iaeiie?aoii caiyoi? iieaeoey?ii? i?a?oae? ?aaeeeaea.
Noaoenoe/i?e aiae?c iieacaa, ui oaeee caycie ?nio? a ianooii?e oi?i?:

q(R = (0.58(0.02) + (1.31(0.03)fH + (5.08(0.20)f0 (26)

R = 0.998 S = 0.001 F = 1250.0 p = 0.0000

aea fH = (|qH|/IRH) oa f0 = (|q0|/IRO2)1/2 -aaee/eie, yei
oa?aeoa?ecothoue aeaeo?iii-aeiii?ii aeacoeaicoi RI oa
aeaeo?iii-aeoeaioi?ii aeacoeaicoi RO2(, IRH oa IRO2. – iioaioeiaee
iiiicaoei? RI oa RO2(. aiaeiiaiaeii.

Ioeiiea aio?iii? aeoeaaoei? iiaeaeueieo ?aaeoeie.

Aaaeeeaei neeaaeieeii eiinoaioe oaeaeeino? ie??i aia?a?? aeoeaaoe?? ?
i?aaeniiiaioiee iiiaeiee, ui ? ooieoe??th aio?ii?? aeoeaaoe??. Aeey
aiiieaeoey?iie ?aaeoei? (1) aio?iiiy aeoeaaoei? aei?iaith? :

(S( = S( – (S0RH + S0RO2.) (27)

aea S( – aio?iiiy ooai?aiiy IC, a S0RH oa S0RO2. – cia/aiiy aio?iiie
ooai?aiiy RI oa RO2. aiaeiiaiaeii. O oaae. 6 iaaeaii ?ic?aoiaaii ca
?iaiyiiyi (27) cia/aiiy aio?iii? aeoeaaoei? oa ?? ceeaaeiaeo.

O caaaeueiiio aeiaaeeo i?e oai?aoe/iiio ?ic?aooieo aio?iii? aeoeaaoei?
iaeaieueoi ceeaaeiicoi aeieeathoue i?e ioe?ioe? aio?iii? ooai?aiiy IC,
iceieueee aeey oeueiai iaiaoiaeii ciaoe eiai aaiiao?e/i? oa /acoioi?
oa?aeoa?ecoeee. Iaeiae iiooe IC ia iiaa?oii iioaioeieii? aia?ai?
?aaeoei? iio?aao? aeoaea aaeeeeo cao?ao iaoeiiiai /aco ? iaa?oue
ianueiaiaei? aeey aaeeeeo iieaeoe ? i?aeoe/ii iaei?aaeueiei. Ca?eiciith
i?iaeaiith ? oaeiae i ?ic?aooiie /acoioieo oa?aeoa?ecoee aeey aeoiaeieo
?aaaaioia o aeiaaeeo ?o aaaaoiaoiiiicoi. Oiio aoea c?iaeaia ci?iaa
ae?aceoe aio?iiith aeoeaaoei? o aeaeyaei aiii?e/ieo ciiaaiaeiioaiue, yei
aeei?ecoiaothoue eaaei aeicooiii aeaeo?iiii-co?oeoo?ii ia?aiao?e
?aaeoaioia.

Oaaeeoey 6.

Cia/aiiy aio?iiie aeoeaaoei? ((S() oa ?o ceeaaeiaeo ca cooiaiyie
caiaiaee (a Aeae/iieue.E) aeey ?aaeoeie (16 – 21).

?aaeoe?y (S(ae. (S(o?ai. (S(ia. (S(eie. (S(

(16) 0.0 -145.1 -50.1 66.3 -128.8

(17) 0.0 -146.5 -53.7 59.8 -140.4

(18) 0.0 -147.5 -58.7 67.5 -138.7

(19) 0.0 -143.0 -32.2 58.3 -116.9

(20) 0.0 -148..8 -70.8 79.4 -140.0

(21) 0.0 -146.1 -49.5 66.7 -128.9

O?aiceyoeieia ceeaaeiaa aio?iii? aeoeaaoei? iiaeiia aooe i?iii?oeieiith
aei eiaa?eoio i?eaaaeaii? iieaeoey?ii? iace ?aaaaioia ? aiia iieno?oueny
??aiyiiyi

(S(o?ai. = -(25.97(.00) – (2.98(.00)*ln(Ii?.) (28)

R = 0.999 S = 0.002 (Aeae/iieue.E) F=264253.0 P = 0.0000

aea Ii?. = MRH*MRO2./(MRH+MRO2.) – i?eaaaeaia iaca ?aaaaioia, MRH oa
MRO2. – iieaeoey?ii iace RI oa RI2(. aiaeiiaiaeii.

Aeeiiai? ioe?iee iieacaee, ui eieeaaeueia ceeaaeiaa aio?iii? aeoeaaoei?
a iciiaiiio aecia/a?oueny aianeii iecueei/acoioieo ceaeaoieo eieeaaiue
icoiao aiaeiicii aoiiia ?aaeoeieiiai oeaio?o (C…I…I). Aiaeiii, ui
ceeiai eiicoaioe caeaaeaoue aiae ?iciiaeieo aeaeo?iiii? aonoeie ia
aoiiao, oiio aoei caeieciaii ci?iao ciaeoe ca’ycie iiae (S(eie. oa oeei
ca?yaeiaei ?iciiaeieii. Aeiecii, eieeaaeueio ceeaaeiao aio?iii?
aeoeaaoei? aaeaeicy ai?ieceioaaoe iacooiiei /eiii:

(S(eie. = (.14(.04)*(1/qH) – (2.57(.10)*(1/qO) + (3.85(.97)*(1/qC)+
(14.23(3.79)*Ln(qC) (29)

R = 0.999 S = 1.63 (Aeae/iieue.E) F = 2430.6 p = 0.0004

aea qH, qO oa qC – aeaeo?iiii ca?yaee ia aiaeiiaiaeieo aoiiao
?aaeoeieiiai oeaio?o.

Aeey iaa?oaeueii? ceeaaeiai? aio?iii? aeoeaaoei? ((S(ia.), ia aiaeiiio,
ceaaeiii, aiae o?aiceyoeieii? oa eieeaaeueii?, yaii ia i/ieo?ouecy
caeaaeiicoue aiae iaa?oaeueieo oa?aeoa?ecoee icieueiaaieo ?aaaaioia.
Iaeiae, aoei iaea?aeaii ?iaiyiiy, yea iia’yco? (S(ia. c iaa?oaeueiith
neeaaeiaith aio?iii? icieueiaaieo ?aaaaioia :

(S(ia. = (15.36(2.02) – (.69(.05)*SiaRH – (.72(.07)*SiaRO2 (30)

R = 0.975 S = 1.97 (Aeae/iieue.E) F =97.5 p = 0.0019

?AAEOeIEIA CAeAOIICOUe C-I CA’ssCEO I?AAII*IEO IIEAEOE O ?AAEOeI?
AIAe?EAO AOIIO AIAeITH IA?IECEEUeIEIE ?AAeEEAEAIE .

I?iaaaeaii co?oeoo?ii-coaoecoe/iee aiaeic aaeeeiai iaceao eiiaoe/ieo
aeaieo ca ?aaeoeiyie ia?ieceeueieo ?aaeeeaeia c iieaeoeaie i?aaii/ieo
ciieoe o ?aieao iiaeaei ?aiiueiai ia?aoiaeiiai coaio c ia?aiicii ca?yaeo
(?ICIC). Aiaeic caeieciaii ia aaci ?iaiyiiy A?aiioca, caienaiiai a
eiaa?eoi?/i?e oi?i?:

lgkp = lgA – .43*(1000*Ea)/RT (31)

Aia?aiy aeoeaaoei? (Ea) ai?ieceioaaeacue ooieoei?th ia?aiao?ia, ui
oa?aeoa?ecothoue cooiiiue ia?aiico ca?yaeo f0 oa fh.

C aeei?ecoaiiyi aecia?eiaioaeueieo aeaieo ii aia?aiyo aeoeaaoei?
?aaeoei? (1), iieaeoe caiiuaieo a?aiia ?icii? aoaeiae oa ia?ieceeueieo
?aaeeeaeia (oaae.7), iaea?aeaii iacooiia aiii?e/ia ?iaiyiiy aeey
?ic?aooieo aia?ai? aeoeaaoei? o oeie ?aaeoei?:

Ea = (925.13(99.15)+(7737.30(773.12)lg(f0) –
(78.15(4.38)lg(fh)+(1.02(.13)cyk (32)

n = 20 R = 0.993 S = 1.28 (eAeae/iieue) F = 305.9 p = 0.0000

aea cyk – ia?aiao?, yeee oa?aeoa?eco? iaa?iiaoe/iee oeeee (oiaoi, yeui
?aaeoeieiicaeaoiee C-I ca’ycie aiaeiiceouecy aei oaeiai oeeeeo, oi
cyk=1, iiaeoa 0). ?ic?aoiaaii ca ?iaiyiiyi(32) Aa?ic? oa
aecia?eiaioaeueii cia/aiiy Aaaeni iaaeaii o oaaeeoei 7.

Eiaa?eoi i?aaeniiiaioiiai iiiaeieea (lgA) ?iaiyiiy (31) iiaeia caiecaoe
o oaeiio aeaei:

lgA = lgAo? + lgAia + lgAeie (33)

aea lgAo?, lgAia oa lgAeie – o?aiceyoeieia, iaa?oaeueia oa eieeaaeueia
ceeaaeiai. Aeey ?ic?aooieo aaee/eie lgA aeei?ecoiaoaaacy iiaeoiae,
aeeeaaeaiee ?aiio. I?e oeueiio o aeiaaeeo ai?ieceiaoei? lgAia
a?aoiaoaaeacue ia oieueee aio?iiiy iaa?oaiiy ?aaeoaioia ((SiaRH,
(SiaRO2), a oaeiae aio?iiiy aioo?ioiueiai iaa?oaiiy ((SINai.ia.),
iica’ycaia c iiyaith o IC aeiaeaoeiaiai cooiaith caiaiaee, coiiaeaiiai
iaa?oaiiyi a?oi Ri oa Rj aiaeiicii ici (C… I …I), yea ?
eii?aeeiaoith ?aaeoei?.

Iae.4 A?aoie caeaaeiicoi aecia?eiaioaeueieo (lgkpaeni) oa ?ic?aoiaaieo
ca ?iaiyiiyie (31 – 33) cia/aiue (lgkp?ic?)

C a?aooaaiiyi c?iaeaieo aeiiouaiue, aeei?ecoiaoth/e ?iaiyiiy (31 – 32)
oa iicey ia?iaee ca aeiiiiiaith iaoiaeia ?aa?acieiiai aiaeico eiiaoe/ieo
aeaieo c ?aaeoeieii? ca?i?, aeacaii? o oaaeeoei 7, io?eiaii oaei ae?ace
aeey lgAi:

lgAeie = (1.26(.12)/qO – (.07(.00)/qh – (.37(.06)/qC – (3.95(.69)Lg(qC)
+ (.35(.11) ( nor (34)

lgAia = (.31(.09) ( SiaRH + (.56(.09) ( SiaRO2 + (.28(.01) ( SINai.ia.
(35)

lgAo? = (9.49(.83) (LgM (36)

aea M = (MRH ( MRO2.)/(MRH + MRO2.) – i?eaaaeaia iaca aca?iiaeith/eo
?aaaaioia.

Aecia?eiaioaeueii oa ?ic?aoiaaii c aeei?ecoaiiyi ?iaiyiue (31-36)
cia/aiiy Lgkp aeey 63 ?aaeoeieieo cecoai, aei neeaaeo yeeo aoiaeyoue
aeeiea?aie c ?icieie aeeieueieie caiicieeaie, a?iiaoe/ii aeueaeaaiaee oa
cie?oe, acueiai 102 eiicoaioe, aeii?yii o oaiia?aoo?iiio iioa?aaei
278(358 (E, aeiceoue aeia?a ei?aeththoue iiae ciaith (iae 4).
Eiaoioei?io ei?aeyoei? aei?iaith? 0.967, coaiaea?oia iioeaea coaiiaeoue
(0,365, e?ioa?ie Oioa?a aei?iaith? 720.45, ui aiaeiiaiaea? 100%
ai?iaiaeiicoi iiaeaei.

Oaaeeoey 7.

Aecia?eiaioaeueii (Eae) oa ?ic?aoiaaaii ca ?iaiyiiyie (32, 33) (Eap)
cia/aiiy aia?aie aeoeaaoei? (eAeae/iieue) oa eiaa?eoiia i?aaeciiiaio
(lgAe, lgAp ) aiaeiiaiaeii.

N RO2( RH Eae Eap lgAe lgAp

1 2 3 4 5 6 7

1 (CI3)3CO2( 1,4-(CI3)2?h 51.2 50.0 6.90 6.79

2 -//- c-C5I10 63.2 64.4 – –

3 -//- c-C6I12 64.4 63.0 – –

4 -//- ?hCI3 51.0 50.0 – 6.66

5 -//- ?hC2I5 44.2 43.2 – 6.20

6 -//- ?hCI(CI3)2 55.1 38.9 8.70 5.77

7 -//- C10I12 (*) 51.5 49.6 9.20 8.43

8 -//- CI2CICI3 56.6 54.4 – 6.97

9 -//- ?hCI(CI3)2 – 38.9 – 5.77

10 -//- ?hCI2(OI) – 34.0 – 5.67

11 -//- ?hCI2Cl – 43.0 – 5.79

12 -//- ?h2CI2 43.9 43.1 – –

13 -//- ?hCIO 25.9 24.4 – –

14 ?hC(O)O2( C10I12 (*) – 34.0 – 8.64

15 -//- ?hCIO 7.4 9.1 4.70 5.13

16 -//- ?hCI3 – 35.2 – 7.01

17 ?hC(CI3)2O2( ?hCI2Cl – 47.7 – 7.04

18 -//- 1,3-(CI3)2?h – 54.7 – 8.18

I?iaeiaaeaiiy oaaeeoe? 7

1 2 3 4 5 6 7

19 -//- 1,3,5-(CI3)3?h – 54.8 – 8.31

20 -//- ?hCI3 52.7 55.7 – 8.07

21 -//- 1,4-(CI3)2?h 50.2 52.7 6.34 8.17

22 -//- 1,2-(CI3)2?h – 54.4 – 8.34

23 -//- 1,2,4-(CI3)3?h – 54.7 – 8.51

24 -//- 1-(CI3),3-(?h)-?h – 53.4 – 9.29

25 -//- 1,2,4,5-(CI3)4?h – 54.3 – 8.88

26 -//- 1-(CI3),4-(?h)-?h – 53.7 – 8.34

27 -//- 1-(C2I5),4-[C(CI3)O]?h – 50.4 – 7.72

28 -//- 4-(C2I5)?Y – 47.7 – 7.34

29 -//- (CI3)5?h – 54.4 – 9.85

30 -//- (CI3)6?h – 54.4 – 10.10

31 -//- 1,2-(CI3)2,2-Cl?h 59.4 60.1 – –

32 -//- 1,4-(C2I5)2?h 48.3 47.6 – 7.69

33 -//- ?hC2I5 – 48.0 – 7.54

34 -//- 1,3-(C2I5)2?h – 47.7 – 7.73

35 -//- 2-(C2I5)-C10I8 45.2 46.8 – 7.26

36 -//- 1,3,5-(C2I5)3?h – 47.8 – 7.90

37 -//- ?h2CI2 – 47.0 – 7.71

38 -//- C10I12 (*) – 53.5 – 9.64

39 -//- 1-(C2I5),4-(?h)?h – 47.3 – 7.80

40 -//- ?hCI(CI3)2 44.3 44.4 6.90 7.05

41 -//- 1,4-[CI(CI3)2]2?h 43.5 44.1 – 7.29

42 -//- 1,3-[CI(CI3)2]2?h 43.4 44.2 – 7.26

43 -//- 1-(C2I5),4-(CI3O)?h – 44.7 – 7.72

44 -//- C14I18 (**) – 53.2 – 9.93

45 -//- C18I24 (***) – 53.0 – 9.90

46 -//- ?hCI2(OI) – 38.7 – 7.00

47 -//- ?h2(CI3)CI – 42.4 – 7.25

I?iaeiaaeaiiy oaaeeoe? 7

1 2 3 4 5 6 7

48 -//- ?h3CI – 41.5 – 7.47

49 -//- 3-(NO2)?hCIO – 31.6 – 6.19

50 -//- 4-(NO2)?hCIO – 31.8 – 6.25

51 -//- 4-F?hCIO – 28.5 – 6.21

52 -//- ?hCIO – 28.6 – 6.17

53 -//- 4-(CI3O)?hCIO – 26.2 – 6.22

54 ?hCI(CI3)O2( ?hCI3 – 50.8 – 7.74

55 -//- ?hCI2C2I5 – 43.3 – 7.08

56 -//- ?hC2I5 47.7 44.6 7.86 7.23

57 -//- ?hCI(CI3)2 – 39.6 – 6.74

58 -//- ?h2CI2 – 43.1 – 7.43

59 ?hCI2O2( ?hCI3 – 46.4 – 7.39

60 -//- ?hC2I5 – 39.6 – 6.89

61 -//- ?hCI(CI3)2 – 35.3 – 6.42

62 -//- ?h2CI2 – 38.7 – 7.14

63 -//- ?h2(CI3)CI – 34.1 – 6.70

(*) – oao?aeii, (**) – ieoaaiae?iaio?aoeai, (***) –
aeiaeaeaaiae?iaeioaiieai

Coaoecoe/iee aiaeic iieaco?, ui iiae ?ic?aoiaaieie ca ?iaiyiiyie (32,33)
cia/aiiyi aia?ai? aeoeaaoei? oa eiaa?eoio i?aaeciiiaioeieiiai iiiaeieea
ciicoa?iaa?ouecy EAO, yeee iieco?ouecy iacooiiei ?iaiyiiyi:

lgA = (3.94(.15) + (0.08(.00)Ea + (1.91(.11).cyk (37)

n = 63 R = 0.985 S = 0.18 F = 305.9 p = 0.0000

Aiaeic ceeaaeiaeo /acoei lgA aeicaiey? c?icoiioe i?e?iaeo caeaaeiicoi,
ui ciicoa?iaa?ouecy. O oeueiio aeiaaeeo o?aiceyoeieia oa iaa?oaeueia
ceeaaeiaa, iath/e i?ioeeaaeii ciaee, /acoeiai eiiiaicoth/e caaa, o coii
? i?eaeecii eiicoaioith: aeey oeeeei/ieo ciieoe 12.71(.30 oa aeey aci??
?aooe 10.28(.30. Oaeei /eiii, ciiia lgA eiiieii caeaaeeoue oieueee aiae
cia/aiue eiai eieeaaeueii? ceeaaeiai? :

LgA = (10.50(.13) + (1.07(.04).LgAeie (37)

n = 63 R = 0.967 S = 0.03 F = 305.9 p = 0.0000

Aieueiee /eai oeueiai ?iaiyiiy coaiiaeoue ciaith oca?aaeiaia cia/aiiy
coie aaee/ei lgAia oa lgAo?. Io?eiaiee ?acoeueoao aeicaiey? c?icoi?oe
nooue yaeua EAO o aeiceiaeaeoaaiie ?aaeoei?, iceieueee i aia?aiy
aeoeaaoei? (?iaiyiiy 32), i eieeaaeueia ceeaaeiaa lgA (?iaiyiiy 34)
aecia/a?ouecy ca?yaeiaei ?iciiaeieii ia aoiiao, yei ooai?ththoue
?aaeoeieiee oeaio? ?aaeoei? (1).

Iiaeaeue “?aiiueiai ia?aoiaeiiai coaio c ia?aiicii ca?yaeo” oa
iiceoeieia caeaeoeaiicoue aeeiea?iiaoe/ieo iieaeoe o ?aaeoei?
aiiieioe/iiai iaiiio aoiiii aiaeith c eoiieia?ieceeueiei ?aaeeeaeii.

Aeei?ecoiaoth/e iaoiaee ?aa?acieiiai aiaeico oa iaaeeaeaiiy iiaeaei
?ICIC io?eiaii ?iaiyiiy, yea iia’yco? iiceoeieio caeaeoeaiicoue ci
co?oeoo?ieie oaeoi?aie, ui aecia/athoue aioaeueiith oa aio?iiith
aeoeaaoei? o ?aaeoei?:

RH + ?hC(CI3)2O2( .(( R(. + ?hC(CI3)2O2I, (39)

aea RH – aeeieaaiciee, yei iicoyoue ?aaeoeieiocaeaoii C-I ca’ycee ia
oieueee o (-iieiaeaiii aei iiaeaieiiai ca’yceo (aaicieueiiai eieueoey),
a i o (- oa (-iieiaeaiiyo, aeey yeeo aiaeiii cia/aiiy aiaeiicieo
ia?oeiaeueieo (aiaeiacaieo ia iaeei ?aaeoeieiicaeaoiee C-I ca’ycie)
eiicoaio oaeaeeicoi, aecia/aieo aiaeiicii ?aaeoei? aca?iiaei? eoiieo c
eoiieia?ieceeueiei ?aaeeeaeii. O oeueiio aeiaaeeo ?iaiyiiy (32-37)
cooo?ai ci?iuothouecy aiaceiaeie oiai, ui eiicoaioe ? aiaeiicieie,
oaeoi?e, iia’ycaii ci co?oeoo?ith eoiieia?iece?aaeeeaeo (qO, fO ,
(SiaRO2) ? iino?eieie a aeaiiio ?yaeo ? aiie aieaeooue o coaeo
?aa?acieiiai ?iaiyiiy. Eiicoaioe oaeaeeicoi ?aaeoei? (39) io?eiaii i?e
iaeiie oaiia?aoo?i, oiio oaiia?aoo?io caeaaeiicoue ia?aiao?ia ?iaiyiiy
iiaeia ia a?aoiaoaaoe. A ?aa?acieiiio ?iaiyiii caeeoathouecy oieueee
/eaie, yei oa?aeoa?ecothoue aeacoeaicoi aeeeth/ii iieaeoe. O ?acoeueoaoi
coaoecoe/iiai aiaeico io?eiaii iacooiia ?iaiyiiy :

lgk’ = -89.92 + 486.95.fh + lgAeie+ lgAia (40)

n = 30 R = 0.984 S = 0.25 F = 58.8 p = 0.0000

lgAeie = (0.23(.01).(1/qh) – (0.23(.02).(1/qC) – (47.93(5.21).lg|qh| –
(0.70(.10).b (41)

lgAia = -(0.07(.00)* SiaRH (42)

aea b – co?oeoo?iee ia?aiao?, yeee oa?aeoa?eco? iieiaeaiiy
?aaeoeieiicaeaoiiai C-I ca’yceo aiaeiicii aaicieueiiai eieueoey (yeui
(-iieiaeaiiy, oi b=0, o aeiaaeeo (- /e (-iieiaeaiue b=1.)

Aecia?eiaioaeueii cia/aiiy oa ?ic?aoiaaii ca ?iaiyiiyi(40) lgk’ aeia?a
ei?aeththoue iiae ciaith (iae.5). ?iaiyiiy (40) iieco? aeai ia?aeaeueii
ca?i? ?aaeoeie c ?icieie ceeiaeie iieyie aoaeaaiaeiaaeo o?aaiaioia
caiicieeia o caeaaeiicoi aiae ?o iieiaeaiiy o aaicieueiiio eieueoei, ui
i?ecaiaeeoue aei cecoaiaoe/iiai ccoao eieeaaeueii? ceeaaeiai? lgA` i?e
ia?aoiaei aiae (-iieiaeaiiy aei iioeo, ui ? caiae/aiyi iaaeicoaoiicoi
aeei?ecoaiiy oieueee ca?yaeiaiai ?iciiaeieo ia aoiiao ?aaeoeieiiai
oeaio?o aeey ioeiiee eieeaaeueii? ceeaaeiai? lgA.

Iae.5. Caeaaeiicoue iiae aecia?eiaioaeueieie (lgk’aeni) oa ?ic?aoiaaieie
ca ?iaiyiiyi(40) cia/aiiyie (lgk’?ic?)

?AAEOeIss ICIIA?ECAOeI? IA?IECEEUeIEO ?AAeEEAEIA .

Ca iaoiaeii “aeueiiiicoa” ciaeaeaii IC oaeeo iiaeaeueieo ?aaeoeie
iciia?ecaoei? ia?ieceeueieo ?aaeeeaeia:

CI3-CI2-CI2OO(. (( (CI2.-CI2-CI2OOI (43)

CI3-O-CI2OO(. (( (CI2.-O-CI2OOI (44)

CI3-NI-CI2OO(. (( (CI2.-NI-CI2OOI (45)

Aeey ciaeaeaiieo co?oeoo? IC io?eiaii a eiaeiiio ?ac? ii iaeiiio
iaaaoeaiiio aeaciiio cia/aiith iac-caaaeaiiai aaciaio (aiaeiiaiaeii
-1616, -1448 oa -850 ci-1).

Co?oeoo?a ciaeaeaieo IC noaiiaeoue oacoe/eaiiee oeeee o oi?ii “e?icea”.
Ciaeaeaii, ui aio?iiiy aeoeaaoei? ?aaeoeie ? iaeith aaee/eiith (-13.0;
-35.1; oa -19.6 Aeae/iieue.E aiaeiiaiaeii) oa aecia/a?ouecy a iciiaiiio
cia/aiiyi eieeaaeueii? ceeaaeiai? aio?iii?. Acoaiiaeaii, ui o IC
?aaeoei? aiaeaoaa?ouecy ia?aiic ca?yaeo c iaeii?? /acoeie ?aaeeeaeo, yea
iicoeoue C-I ca’ycie, ui ?aaouecy, ia iioo, yea iicoeoue aeoeaioi?io
ia?ieceaeio a?oio. I?e oeueiio ia aoiiao ia?ieceaeii? a?oie
aiaeaoaaa?ouecy caieueoaiiy iaaaoeaiiai ca?yaeo ia 0.058, 0.167 oa 0.168
aiaeiiaiaeii.

Ana oea aeicaiey? caeeth/eoe, ui IC ?aaeoei? iciia?icaoei? ? iiey?iei, c
aei?noeith oeeeei/iith co?oeoo?ith, yea aeecueea aei iiaeaei ?ICIC o
aeiaaeeo i?aeiieaeoey?ieo ?aaeoe?e.

Iaea?aeaii ?acoeueoaoe aeei?ecoaii i?e ?ic?aooieao aeoeaaoeieieo
eiiaoe/ieo ia?aiao?ia ?yaeo iiiiiieaeoey?ieo ?aaeoeie iciia?icaoei? c
I-ia?aiicii ia?ieceeueieo ?aaeeeaeia. Ia’?eoaie aeiceiaeaeaiue aoee
iacooiii ia?ieceeueii ?aaeeeaee: CI3CI(OO(.)-CI2-CI2CI3 (I),
(CI3)2C(OO(.)-CI2-CI(CI3)2 (II), CI3CI(OO.()-CI2-CI(OOI)CI3 (III),
(CI3)2C(OO.()-O-CI(CI3)2 (IV), (CI3)2C(OO.()-C(O)-CI(CI3)2 (V).
?aaeeeaee (I) oa (III) iiaeaeththoue ?aaeeeaee oaei? aoaeiae:
R1CI(OO(.)-CI2-CI2R2 oa R1CI(OO(.)-CI2-CI(OOI)R2 aiaeiiaiaeii.

Iciiaith aeey oaeiai iiaeaethaaiiy ceoaeeoue oa, ui ye aeieeaa? c
aecia?eiaioaeueieo aeaieo, eiicoaioa oaeaeeicoi iciia?icaoei? oeeo
?aaeeeaeia ia caeaaeeoue aiae aaee/eie aeeieueiiai caiicieea.

Oaaeeoey 8.

Cia/aiiy aeaeo?iiieo ca?yaeia ia aoiiao ?aaeoeieiiai oeaio?o ?aaeoei?
(3): (qC, qh oa qO ), iioaioeiaee iiiicaoei? (I) ia?ieceeueieo
?aaeeeaeia (aA), a oaeiae cia/aiiy aia?ai? aeoeaaoei? (Ea)
(eAeae/iieue) oa eiaa?eoiia ia?aaeaeciiioe?eiiai iiiaeieea (lgA),
?ic?aoiaaieo ca ?iaiyiiyi (46), (47) aiaeiiaiaeii.

?aaeeeae qC qH qO I Ea LgA

(I) 0.0661 -0.0282 -0.2085 9.6896 71.04 10.86

(II) 0.0962 -0.0504 -0.2057 9.6674 68.07 10.90

(III) 0.3475 -0.0844 -0.1901 9.6823 62.05 10.96

(IV) 0.4467 -0.0939 -0.1909 9.4180 62.34 10.97

(V) -0.0103 -0.0055 -0.2066 9.4116 75.98 11.84

(aea R1 oa R2 ? aeeieueii caiicieee ii?iaeueii? aoaeiae aiae CI3- aei
C12I25-) .

Iaea?aeaii cia/aiiy aeaeo?iiieo ca?yae?a ia aoiiao ?aaeoeieiiai oeaio?o
( C… I …I) oa iioaioeiaee iiiicaoei? ia?ieceeueieo ?aaeeeaeia
i?eaaaeai? o oaaeeoei 8.

Aeei?ecoiaoth/e aecia?eiaioaeueii cia/aiiy eiicoaio oaeaeeicoae oa
iaaeeaeaiiy iiaeaei ?ICIC, io?eiaii iacooiii ei?aeyoeieii ?iaiyiiy:

Ea = (-7.28 104 ( 2.90 103)fh + (7.17 106 ( 4.80 105) fO (46)

lgA = (10.99 ( 0.61) – (0.01 ( 0.00)/qC (47)

n = 11 R = 0.987 S = 0.23 F = 88.38 p = 0.0000

Ei?aeyoeieiay caeaaeiicoue, ui iieco?ouecy ?iaiyiiyie (46, 47),
i?eaaaeaia ia iae.6, a ?ic?aoiaaii aeoeaaoeieii ia?aiao?e o oaae.8.

Iae.6. Caeaaeiicoue eiaa?eoiia aecia?eiaioaeueieo cia/aiue eiicoaio
oaeaeeicoi ?aaeoei? (3) oa ?ic?aoiaaieo ca ?iaiyiiyi (45, 46).

AECIIAEE

1.Iaoiaeaie eaaioiaie o?i?? aea/aii ?ioeiiee iaoai?ci iniiaieo ?aaeoe?e
aiiie?oe/iiai ieeniaiiy – i?iaeiaaeaiiy eaioethaa oa eiai ia?eao.
Aeine?aeaeaii iniaeeaino? aoaeiae ia?ao?aeieo noai?a aeaiaioa?ieo
?aaeoeie ia?ieceeueieo ?aaeeeaeia o ?aeiiaiiaoei?, aiae?eao aoiio
aiaeith aiae iieaeoe, iciia?icaoei?. Acoaiiaeaii, ui eieaeicaoeiy
iacia?aiiai aeaeo?iio o iaeacoi aoiiia aeaeo?iii-aeoeaioi?ii?
ia?ieceaeii? a?oie ia?ieceeueiiai ?aaeeeaeo aecia/a? aeacoeaicoi
i?iiiaeii? eaaieueii? ciieoee o ?aaeoei? ?aeiiaiiaoei? oa ia?aoiaeieo
coaiia o ?aaeoeiyo aiae?eao aoiio aiaeith oa iciia?icaoei?. Iieacaii, ui
oiiieiai/ii iciaeeaicoi oao?aieceaeii? a?oie aeaoa?iiiothoue iaoai?ci
?aaeoei? ?aeiiaiiaoei? o caeaaeiicoi aiae oeio ?aaeeeaeo (ia?aeiiee,
aoi?eiiee aai o?aoeiiee). Aeey ?aaeoeie aiae?eao aoiio aiaeith oa
iciia?ecaoei? coai?aia oa iaa?oioiaaia iaoaiaoe/ia iiaeaeue, yea iieco?
ca’ycie aeoeaaoeieieo ia?aiao?ia ?iaiyiiy A?aiioca c aeaeo?iiieie oa
co?oeoo?ieie oa?aeoa?ecoeeaie ?aaeoaioia.

2. Ia iciiai eaaioiai-oiii/ieo ?ic?aooieia aecia/aii iciiaii
oiceei-oiii/ii oa?aeoa?ecoeee ?yaeo oao?aieceaeia c caiicieeaie ?icii?
aoaeiae. Iieacaii, ui eiioi?iaoeieii aeacoeaicoi oao?aieceaeia
aecia/athouecy co?oeoo?ith aeeieueieo caiicieeia ia?ieceeueieo
?aaeeeae?a. O?aoeiii ia?ieceeueii ?aaeeeaee ooai?ththoue oao?aieceae
oieueee o o?aici?aeiie eiioi?iaoei?, a ia?aeiii oa aoi?eiii ia?ieceeueii
?aaeeeaee ooai?ththoue oao?aieceae ye o o?aici?aeiie, oae i o
oeeci?aeiie eiioi?iaoeiyo ui ni?e/eiy? ??cieoeth a iaoai?ciao ia?eao
eaioetha?a ia?ieneeueieo ?aaeeeae?a.

3.Io?eiaii aia?aaoe/ii i?ioiei ?aaeoei? CI302.+I02. ( CI304I oa
?iceeaaeo ooai?thaaiiai oao?aieceaeo, ui ia i?eaiaeeoue aei ia?eao
eaioetha?a:

(((( CI30(. + I2 + I0(.

CI304I ((

(((( CI30(. + I03(

Iieacaii, ui aci ?aaeoei? i?ioieathoue c aia?aaoe/ieie aa?’??aie,
iica’ycaieie c eiieo?aioei?th aeacoaaieicoth/iai aoaeoo aca?iiaei?
iaiiaeieaieo ia? aeaeo?iiia aoiiia eecith oa ca’ycoth/iai oa?aeoa?o
(-ia?ieceaeiiai ca’yceo, yeee ?aaouecy (aai ooai?th?ouecy). Acoaiiaeaii,
ui ia?aaaaeiei ? aiiieioe/iee ?iceeaae ic o?aici?aeii? eiioi?iaoei?
oao?aieceaeo ca iaceio?iiiei iaoai?ciii.

4. Aeey ?yaeo iieaeoe aoaeaaiaeiia (aeeaie, oeeeeiaeeaie, oeeeeiaeeaie,
aeeiea?aie, oeeeeiaeeiea?aie, cie?oe oa a?iiaoe/ii aeueaeaaiaee) oa
aiaeiiaiaeieo ?i ?aaeeeaeia (aieueoa 100 cecoai) i?iaaaeaii
co?oeoo?ii-coaoecoe/iee aiaeic aaeaeaaoiicoi aecia?eiaioiai oai?aoe/iiai
?ic?aooieo ?icieo iieaeoey?ieo oa?aeoa?ecoee. Acoaiiaeaii, ui iaoiae
I*IAeI/3 ai?ii ia?aaea? oa?aeoa? ciiie oe?ieiai ciaeo?o oiceei-oiii/ieo
aaee/ei (aioaeueiie ooai?thaaiiy, iioaioeiaeia iiiicaoei?, aia?ai?
ieaeiio aeaeo?iiieo ia?aoiaeia, ca?yaeiaee ?iciiaeie i o.ae.) a
caeaaeiicoi aiae iieaeoey?ii? aoaeiae. Cai?iiiiiaaii ei??aeyoeieii
?iaiyiiy, yei iia’ycothoue aecia?eiaioaeueii cia/aiiy aeua aeacaieo
oa?aeoa?ecoee c oai?aoe/ii ?ic?aoiaaieie, o yeeo aooaeoe i?oi-caiiuaiiy
a?aoiaaii o aeaeyaei aiaeiiaiaeieo iie?aiaioia.

5. I?iaaaeaii ?ic?aooiie iiaa?oiiue iioaioeiaeueii? aia?ai? oa aecia/aii
oa?aeoa?ecoeee ia?aoiaeieo coaiia aeey iniiaii? aeaiaioa?ii? ?aaeoei?
i?iaeiaaeaiiy eaioethaa – aiae?eao aoiio aiaeith aiae?i – oa
oi?iieia?ieceeueiei ?aaeeeaeaie aiae iieaeoe, yei iiaeaeththoue ?icii
eeace i?aaii/ieo ciieoe, c ia?aeiieie, aoi?eiieie, o?aoeiieie oa
aoeeeueieie C-I ca’yceaie o (-iieiaeaiii aei iiaeaieiiai ca’yceo.
Acoaiiaeaii, ui ia?aoiaeii coaie aeaieo ?aaeoeie ? co?oeoo?aie c
?iciiaeieii ca?yaeia, yei ca oeiii iiaeia aiaeiacoe aei “?aiiio”
ia?aoiaeieo coaiia. Ia iciiai coaoecoe/iiai aiaeico aeiaaaeaii, ui o
oeueiio aeiaaeeo, aioaeueiith oa aio?iiith aeoeaaoei? ?aaeoei? iiaeia
ae?aceoe /a?ac aeacoeaicoi eeoa ?aaeoaioia.

6.Cai?iiiiiaaii ?iaiyiiy, ye? iia’ycothoue aeaeo?iiii-co?oeoo?ii
oa?aeoa?ecoeee ?aaeoaioia c eiiaoe/ieie aeoeaaoeieieie ia?aiao?aie
?aaeoei? aiiieioe/iiai aiae?eao aoiio aiaeith ia?ieceeueieie
?aaeeeaeaie. Cai?iiiiiaaia iiaeaeue “?aiiueiai ia?aoiaeiiai coaio c
ia?aiicii ca?yaeo” aeicaiey? aaeaeaaoii iiecaoe ye iiceoeieio
caeaeoeaiicoue o caiiuaieo aeeiea?aiao, oae i iiycieoe i?e?iaeo
eiiiaicaoeieiiai aoaeoo, ui ciicoa?iaa?ouecy a aeaiiie ?aaeoei?.

7.Aeiceiaeaeaii co?oeoo?e ia?aoiaeieo coaiia ?aaeoeie iciia?ecaoei?
ia?ieceeueieo ?aaeeeaeia. Acoaiiaeaii, ui oea iiey?ii ia?aoiaeii coaie c
“aei?coeith” oeeeei/iith co?oeoo?ith, aei yeeo iiaeia cacoicoaaoe
iiaeaeue “?aiiueiai ia?aoiaeiiai coaio c ia?aiicii ca?yaeo”. Io?eiaii
ei??aeyoeieia ?iaiyiiy, yea iia’yco? eiicoaioo oaeaeeicoi ?aaeoei?
iciia?ecaoei? c aeaeo?iiieie oa?aeoa?ecoeeaie aeoiaeiiai ia?ieceeueiiai
?aaeeeaeo. ?ic?aoiaaii aeoeaaoeieii ia?aiao?e ?aaeoeie
aioo?ioiueiiieaeoey?iiai ia?aiico aoiia aiaeith a ia?ieceeueieo
?aaeeeaeao ?icii? aoaeiae.

ICIIAII IOAEEEAOeI? CA OAIITH AeECA?OAOeIEII? ?IAIOE.

1. Eo/a? ?.A., Iiaeaea E.A., Aeieo?oe A.O. I aeeyiee ?aci?aaeaeaiey
(-yeaeo?iiiie ieioiicoe a aeeeea?iiaoe/aceeo ia?iece?aaeeeaeao ia eo
?aaeoeeiiioth ciiciaiicoue // Oai?.e yeci.oei. – 1972, O.8, -?3,
-C.385-388.

2. I eiioi?iaoeeyo iaeioi?uo ianeiiao?e/iuo aeeeeueiuo ia?aeenae /Eo/a?
?.A., Oo?ianeee A.A., Oo?ianeee I.A., Aeieo?oe A.O. //AeAI NNN?. – 1973,
O.210, -?3, – N.598-600.

3. Yeaeo?iiiay co?oeoo?a ia?aeeciuo iece?aaeeeaeia e eo ?aaeoeeiiiay
ciiciaiicoue / Eo/a? ?.A., Iiaeaea E.A., Aeieo?oe A.O., Eiaaiia A.A. //
AeAI CCC?. – 1974. O.218, -? 3, – C. 612 – 615.

4. Iiaeaea E.A., Aeieo?oe A.O., Oeiioei A.E. I?i iciaeeaicoi aoaeiae
ia?aoiaeiiai coaio a ?aaeoeiyo aiae?eao aoiio aiaeith ia?iece?aaeeeaeaie
// AeAI OCC?. – 1974. – O.510, – C.650-653.

5. Eo/a? ?.A., Iiaeaea E.A., Aeieo?oe A.O. I aeeyiee yeaeo?iiiie
ieioiicoe (-icoiaa ia ?aaeoeeiiioth ciiciaiicoue //ca.“Oai?ey e i?aeoeea
aeeaeeioaciiai ieeceaiey”. I.: Iaoea,1974. – C.51-53.

6. Iiaeaea E.A., Aeieo?oe A.O. Aeeyiea ciaoeeoe/aceie cieueaaoaoeee ia
?aaeoeeiiioth ciiciaiicoue ia?aeeciiai ?aaeeeaea a ?aaeoeee
i?iaeieaeaiey oeaie // AeAI OCC?, A. – 1975. -? 11, – C.1006-1008.

7. I ia?ae?acoiuo ?aaeoeeyo ia?uaa ia?aeeciuo ?aaeeeaeia
aeeeea?iiaoe/aceeo oaeaaiaei?iaeia/ Eo/a? ?.A., Iiaeaea E.A., Aeieo?oe
A.O., Oeiioei A.E. // Oai?. e yeci. oei. – 1975. O.11, -?5. – C.591-596.

8.Aeieo?oe A.O., Iiaeaea E.A. Yeaeo?iiiia co?iaiea aeeee- e
ieceia?aeeciuo ?aaeeeaeia // AE.co?oeo.oei. – 1976. O.17, -?3. –
C.528-530.

9. Iiaeaea E.A., Aeieo?oe A.O., Oeiioei A.E. I ceiiao?ee aeoeae?iaaiiiai
eiiieaeca a ?aaeoeeyo ?aeiiaeiaoeee ia?aeeciuo ?aaeeeaeia // AeAI OCC?,
A. – 1977. -? 5,- C.418-420.

10. Eo/a? ?.A., Iiaeaea E.A., Aeieo?oe A.O. Co?oeoo?a e caiecoaa
ia?aeeciuo ?aaeeeaeia // Oeceea iieaeoe. – 1977. – ?4. – C.47-57.

11.Ia eciieueciaaiee iaoiaea i?a?uaecoiai icaauaiey a ceo/aa ?aaeoeee
ieeceaiey aeia?iuo ciacae/ Iiaeaea E.A., Aeieo?oe A.O., Oieieiiaa E.E.,
Iuoeue I.I. // Oai?.e yeci.oei. – 1977. O.13, -? 2. C.252-257.

12.Aeieo?oe A.O., Iiaeaea E.A. Yeaeo?iiiay co?oeoo?a aeeee- e
aoeeeia?aeeciuo ?aaeeeaeia // AE.co?oeo.oei. – 1977. O.18, -?5. –
C.962-964.

13. Eo/a? ?.A., Iiaeaea E.A., Aeieo?oe A.O. I eaaioiai-oeie/aceie
eioa?i?aoaoeee ?aaeoeee ia?aeeciuo ?aaeeeaeia a i?ioeaccao
aeeaeeioaciiai ieeceaiey // Iaooaoeiey. – 1978. O.18, – ? 4. –
C.519-524.

14.Aeieo?oe A.O., Eo/a? ?.A. Iciaaiiicoe iaoaiecia ?aaeoeee ia?uaa oeaie
o?aoe/iuie ia?aeeciuie ?aaeeeaeaie // AeAI OCC?, A.- 1979. -? 9,
-C.734-736.

15. Eo/a? ?.A., Aeieo?oe A.O., Oieieiiaa E.E. I eiioi?iaoeeyo
oao?aieceaea // AeAI OCC?, A. – 1980. -? 9, – C.50-53.

16.Yeaeo?iiiay co?oeoo?a e iaaieoii-?aciiaiciua ia?aiao?u ia?ieceaeiuo
?aaeeeaeia / Eo/a? ?.A., Aeieo?oe A.O., Iiaeaea E.A.,Oieieiiaa E.E.,
Eiaaiia A.A.// Oai?. e yeci. oei. – 1983. O19. -?1. – C.22-30.

17. Electronic structure of peroxy radicals / Kucher R.V., Opeida I.A.,
Dmitruk A.F., Kholoimova L.I. // Oxidation Communication. -1985, Vol. 5,
-?1-2. – ?.75-87.

18. Othiaei I.O., Aeieo?oe A.O. ?anoai?eiinoue iciia e aeeyiea
?anoai?eoaeae ia iciiieeoe/aneea ?aaeoeee aaoa?aiia, yooaeou
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22. ?ac/ao eiicoaio ecio?iiiiai caa?ooiieiai ?acuaieaiey ciaeo?ia YI? a
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23. I aeaea caaeneiinoe eiinoaio niei-nieiiaiai acaeiiaeaenoaey JHNNH io
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24. Eciia?ecaoeey ia?iece?aaeeeaeia – iooue e ceioaco iieeooieoeei
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25.Aunioeeee TH.A., Aeieo?oe A.O., Aeoeaiei A.E. Yeaeo?iiiay no?oeoo?a
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26. Co?oeoo?a e ?aaeoeeiiiay ciiciaiicoue iaeioi?uo yoeea?aiia a
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27. Aeieo?oe A.O., Ca?a/iay I.I., Aaeiai A.A. ?ac/ao eiioi?iaoeee
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28.Eaaioiaioeie/aneia iiaeaee?iaaiea aieiieeca aiaeae?eaeia ea?aiiaoiuo
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29. Ia?aeiyi A.A., Aeieo?oe A.O., Oaaaaeyi E.A. Yeaeo?iiiia co?iaiea e
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30. Iiaeaea E.A., Aeieo?oe A.O., Ca?a/iay I.I. Oa?aeoa?ecoeee
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oaeaaiaei?iaeia a ?aaeoeee io?uaa aoiia aiaei?iaea ia?ieceaeiuie
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31. Iiaeaea E.A., Aeieo?oe A.O., Ca?a/iay I.I. I ?iee ia?aiica ca?yaea a
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32.Iiaeaea E.A., Aeieo?oe A.O., Ca?a/iay I.I. ?aaeoeeiiiay ciiciaiicoue
C-I cayce i?aaie/aceeo iieaeoe ?acee/iiai co?iaiey a ?aaeoeeyo io?uaa
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33.Aeieo?oe A.O. Yeaeo?iiiia no?iaiea e ?aaeoeeiiiay niiniaiinoue
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34.Aeieo?oe A.O. ?ieue no?oeoo?iuo oaeoi?ia a iiceoeeiiiie naeaeoeaiinoe
aeeeea?iiaoe/aneeo iieaeoe a ?aaeoeee aiiieeoe/aneiai iaiaia aoiiii
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35.Aeieo?oe A.O. Iiaa?oiinoe iioaioeeaeueiie yia?aee ?aaeoeee
?aeiiaeiaoeee o?aoe/iuo ia?ieneeueiuo ?aaeeeaeia. // No?oeoo?a
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24.

36.Aeieo?oe A.O. ?an/ao yio?iiee aeoeaaoeee aeey ?aaeoeee io?uaa aoiia
aiaei?iaea ia?ieneeueiuie ?aaeeeaeaie. // No?oeoo?a i?aaie/aneeo
niaaeeiaiee e iaoaieciu ?aaeoeee. –Aeiiaoee, -1998, -N. 25 – 28.

Aiioaoe?y. Aeieo?oe I.O. Aeaiaioa?i? ?aaeoe?? ia?ieceeueieo ?aaeeeae?a
o i?ioeacao ??aeeiiioaciiai ieeciaiiy i?aai?/ieo niieoe (eaaioiai –
o?i?/iee iiec). – ?oeiien. Aeeca?oaoe?y ia caeiaoooy iaoeiaiai cooiaiy
aeieoi?a o?i?/ieo iaoe ca ciaoe?aeuei?coth 02.00.04 – o?ce/ia o?i?y.
?icoeooo o?ceei – i?aai?/ii? o?i?? oa aoaeao?i?? ?i.Eeoaeiaiea IAI
Oe?a?ie, Aeiiaoeuee, 1998 ?.

Iaoiaeaie eaaioiai? o?i?? aeice?aeaeaii iiaa?oi? iioaioe?eii? aia?a??
ianooiieo aeaiaioa?ieo ?aaeoe?e ia?ieceeueieo ?aaeeeae?a: RO2(+RI ( RO2I
+ R(; 2RO2( ( iaaeoeai? i?iaeoeoe; RO2(( (rO2I. Ia iciia? aiae?co
aeacoeainoae ciaeaeaieo ia?ao?aeieo coai?a aeey iieco ?aaeoe?eii?
caeaoiico? /acoeiie o ?aaeoe?yo i?iaeiaaeaiiy eaioethaa cai?iiiiiaaia
iiaeaeue (?aiiueiai ia?ao?aeiiai coaio c ia?aiicii ca?yaeo(, yea
acoaiiaeth? ooieoe?iiaeueiee caycie i?ae e?iaoe/ieie aeoeaaoe?eieie
ia?aiao?aie oa aeaeo?iiii-co?oeoo?ieie oa?aeoa?ecoeeaie ?aaeoaio?a. Aeey
?aaeoe?? ia?eao eaioethaa acoaiiaeaii, ui oiiieia?/i? aeacoeaino?
oao?aieceaeii? a?oie i?ii?aeiiai i?iaeoeoo aeaoa?i?iothoue iaoai?ci
?aaeoe?? o caeaaeiico? a?ae aoaeiae ia?ieceeueiiai ?aaeeeaeo.

Eeth/ia? neiaa: ??aeeiioacia ieeniaiiy, aeaiaioa?i? ?aaeoe??,
ia?ieneeueiee ?aaeeeae, aeaeo?iiia aoaeiaa, ?aaeoe?eia caeaoi?noue.

Aiiioaoeey. Aeieo?oe A.O. Yeaiaioa?iua ?aaeoeee ia?ieceeueiuo ?aaeeeaeia
a i?ioeaccao aeeaeeioaciiai ieeceaiey i?aaie/aceeo aauacoa(eaaioiai –
oeie/aceia iiecaiea). – ?oeiienue. Aeecca?oaoeey ia cieceaiea o/aiie
coaiaie aeieoi?a oeie/aceeo iaoe ii ciaoeeaeueiicoe 02.00.04 –
oece/aceay oeiey. Eicoeooo oeceei – i?aaie/aceie oeiee e oaeaoeiee
ei.Eeoaeiaiei IAI Oe?aeiu, Aeiiaoee,1998 a.

Iaoiaeaie eaaioiaie oeiee ecceaaeiaaiu iiaa?oiinoe iioaioeeaeueiie
yia?aee ceaaeothueo yeaiaioa?iuo ?aaeoeee ia?ieceeueiuo ?aaeeeaeia:
RO2(+RI ( RO2I + R( ; 2RO2( ( iaaeoeaiua i?iaeoeou; RO2(( (rO2I. Ia
iciiaaiee aiaeeca caiecoa iaeaeaiiuo ia?aoiaeiuo cicoiyiee aeey iiecaiey
?aaeoeeiiiie ciiciaiicoe /acoeoe a ?aaeoeeyo i?iaeieaeaiey oeaie
i?aaeeiaeaia iiaeaeue “?aiiaai ia?aoiaeiiai cicoiyiey c ia?aiicii
ca?yaea”, eioi?ay ocoaiaaeeaaao ooieoeeiiaeueioth caycue iaaeaeo
eeiaoe/aceeie aeoeaaoeeiiiuie ia?aiao?aie e yeaeo?iiii-co?oeoo?iuie
oa?aeoa?ecoeeai ?aaeoaioia. Aeey ?aaeoeee ia?uaa oeaie ocoaiiaeaii, /oi
oiiieiae/aceea caiecoaa oao?aieceaeiie a?oiiu i?iiaaeooi/iiai i?iaeoeoa
aeaoa?ieie?otho iaoaieci ?aaeoeee a caaeceiicoe io no?iaiey
ia?ieceeueiiai ?aaeeeaea.

Eeth/aaua neiaa: aeeaeeioaciia ieeneaiea, yeaiaioa?iua ?aaeoeee,
ia?ieneeueiue ?aaeeeae, yeaeo?iiiia no?iaiea, ?aaeoeeiiiay niiniaiinoue.

Summary. Dmitruk A.F. Elementary reactions of peroxyradicals in liquid –
phase oxidation reactions of organic substances (quantum -chemical
approach). – Manuscript. Thesis for doctor’s degree by speciality
02.00.04 – physical chemistry. L.M. Litwinenko Institute of Physical
Organic & Coal Chemistry Ukrainian Akademy of Sciences, Donetsk, 1998.

The sufraces of potential energy of the next elementary reactions of
peroxyradicals : RO2(+RI ( RO2I + R( ; 2RO2( ( inact.prod.; RO2(( (rO2I
were investigated by methods of quantum chemistry. On the basis of the
analysis of properties of found transition states, for the description
of reactivities of particles in reactions of the chain propagation model
” a early transition state with change transfer” is proposed, on the
base of it the relationthips between kinetic activation parameters and
electrono – structural characteristics of reactants have been
established. For reaction of chain termination it was established, that
topological properites tetraoxides group of a the intermediates
determines mechanisms of reaction which depends on a structure of
peroxyradical.

Key words: liquid – phase oxidation, elementary reactions,
peroxyradical, electronic structure, reactiwity.

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