THE S(RN)2 PATHWAY - A MECHANISTIC ALTERNATIVE FOR RADICALS IN POLAR MEDIA

被引：14

作者：

ZIPSE, H

机构：

[1] Institut fur Organische Chemie, Technischen Universität, Berlin, D-10623

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1994年 / 33卷 / 19期

关键词：

D O I：

10.1002/anie.199419851

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The calculated activation barrier is much lower for nucleophilic substitution reactions in radicals than for those with closed‐shell systems. Monte Carlo simulations of the studied model system (a) predict that this is valid for aqueous solution too. These results should therefore also be relevant for radical chemistry under physiological conditions. (Figure Presented.) Copyright © 1994 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：1985 / 1988

页数：4

共 21 条

[1] THE MECHANISM OF THE BETA-ACYLOXYALKYL RADICAL REARRANGEMENT .2. BETA-ACYLOXYTETRAHYDROPYRANYL RADICALS
BECKWITH, ALJ
DUGGAN, PJ
[J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1993, (09): : 1673 - 1679
[2] VINYL EPOXIDES - REAGENTS FOR RADICAL-INDUCED DNA CLEAVAGE
BREEN, AP
MURPHY, JA
[J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1993, (23): : 2979 - 2990
[3] BRENEMAN CM, 1990, J COMPUT CHEM, V11, P431
[4] Frisch M. J, 1992, GAUSSIAN 92
[5] THE MECHANISM OF ANAEROBIC, RADICAL-INDUCED DNA STRAND SCISSION
GIESE, B
BEYRICHGRAF, X
BURGER, J
KESSELHEIM, C
SENN, M
SCHAFER, T
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1993, 32 (12) : 1742 - 1743
[6] MODEL STUDIES ON THE RADICAL INDUCED DNA STRAND CLEAVAGE
GIESE, B
BURGER, J
KANG, TW
KESSELHEIM, C
WITTMER, T
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (18) : 7322 - 7324
[7] JAYARAMAN C, 1985, J AM CHEM SOC, V107, P154
[8] A THEORETICAL-STUDY OF STERIC EFFECTS IN S(N)2 REACTIONS
JENSEN, F
[J]. CHEMICAL PHYSICS LETTERS, 1992, 196 (3-4) : 368 - 376
[9] FREE-ENERGY CALCULATIONS - A BREAKTHROUGH FOR MODELING ORGANIC-CHEMISTRY IN SOLUTION
JORGENSEN, WL
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1989, 22 (05) : 184 - 189
[10] JORGENSEN WL, 1992, BOSS VERSION 3 4

← 1 2 3 →