A SIMPLE WAY TO PREDICT THE PRODUCTS OF TOPOCHEMICAL PHOTOREACTIONS ON THE BASIS OF FORCE-FIELD CALCULATIONS

被引:8
作者
ANGERMUND, K [1 ]
KLOPP, I [1 ]
KRUGER, C [1 ]
NOLTE, M [1 ]
机构
[1] MAX PLANCK INST STRAHLENCHEM,W-4330 MULHEIM,GERMANY
来源
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1991年 / 30卷 / 10期
关键词
D O I
10.1002/anie.199113541
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Not only topochemically allowed, but also the topochemically forbidden products that are partly formed on the photodimerization of crystalline butenolides 1 can be qualitatively correctly predicted with the modified Cohen model presented here. Thus the way is clear for the application of standardized molecular-modeling procedures to problems in organic solid state chemistry.
引用
收藏
页码:1354 / 1356
页数:3
相关论文
共 21 条
[1]  
AWAD WI, 1967, J CHEM U A R, V10, P287
[2]  
Cohen M. D., 1975, ANGEW CHEM, V87, P439
[3]   PHOTOCHEMISTRY OF ORGANIC SOLIDS [J].
COHEN, MD .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1975, 14 (06) :386-393
[4]   SOLID-STATE PHOTOCHEMICAL-REACTIONS [J].
COHEN, MD .
TETRAHEDRON, 1987, 43 (07) :1211-1224
[5]  
DESIRAJU GR, 1987, ORGANIC SOLID STATE
[6]   COMPUTER-ASSISTED MOLECULAR DESIGN (CAMD) - AN OVERVIEW [J].
FRUHBEIS, H ;
KLEIN, R ;
WALLMEIER, H .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1987, 26 (05) :403-418
[7]  
FRUHBEIS H, 1987, ANGEW CHEM, V99, P413
[8]  
KAUPP G, 1981, ANGEW CHEM INT EDIT, V20, P1018, DOI 10.1002/anie.198110181
[9]  
KAUPP G, 1981, ANGEW CHEM, V93, P1107
[10]  
KLOPP I, 1991, THESIS U WUPPERTAL