NOTE ON TRANSITION-STATE OF RADICAL-ADDITION REACTIONS

被引：43

作者：

CLARK, DT ^{[1
]}

SCANLAN, IW ^{[1
]}

WALTON, JC ^{[1
]}

机构：

[1] UNIV ST ANDREWS,DEPT CHEM,ST ANDREWS KY16 9ST,FIFE,SCOTLAND

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 55卷 / 01期

关键词：

D O I：

10.1016/0009-2614(78)85144-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An ab initio MO study of the reaction of F1 atoms and CH- 3 radicals with ethylene indicates that the transition state occurs later in the F1 atom reaction and that there is considerable charge polarization in the alkene arising mainly from transfer of a β electron to fluorine. © 1978.

引用

页码：102 / 106

页数：5

共 19 条

[1] A SEMI-EMPIRICAL CALCULATION OF POTENTIAL SURFACE FOR CH3 + CH2 = CH2 REACTION
BASILEVS.MV
CHLENOV, IE
[J]. THEORETICA CHIMICA ACTA, 1969, 15 (02): : 174 - &
[2] BASILEVSKY MV, 1967, DOKL AKAD NAUK SSSR, V172, P87
[3] Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[4] BENSON SW, 1968, NSRDSNBS20
[5] THEORY OF FREE-RADICAL REACTIONS
BONACICKOUTECKY, V
KOUTECKY, J
SALEM, L
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (03) : 842 - 850
[6] FREE-RADICAL ADDITION TO OLEFINS .14. ADDITION OF TRIFLUOROMETHYL RADICALS TO FLUOROETHYLENES
CAPE, JN
GREIG, AC
TEDDER, JM
WALTON, JC
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1975, 71 (03): : 592 - 601
[7] GROUND STATES OF CONJUGATED MOLECULES .4. ESTIMATION OF CHEMICAL REACTIVITY
DEWAR, MJS
THOMPSON, CC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (20) : 4414 - &
[8] THERMAL UNIMOLECULAR REACTIONS OF HYDROCARBONS
FREY, HM
WALSH, R
[J]. CHEMICAL REVIEWS, 1969, 69 (01) : 103 - &
[9] MOLECULAR-ORBITAL CALCULATION OF CHEMICALLY INTERACTING SYSTEMS - INTERACTION BETWEEN RADICAL AND CLOSED-SHELL MOLECULES
FUJIMOTO, H
MINATO, T
FUKUI, K
YAMABE, S
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) : 9205 - 9210
[10] MINDO/2 CALCULATIONS ON REACTION OF METHYL RADICALS WITH ETHYLENE AND BUTADIENE
HOYLAND, JR
[J]. THEORETICA CHIMICA ACTA, 1971, 22 (02): : 229 - &

← 1 2 →