ACRYLONITRILE VERSUS ALLYL CYANIDE - THE ROLE OF ELECTRONIC CONJUGATION IN HIGH ELECTRIC-FIELD CONDITION

被引：3

作者：

RAYNAUD, M

REYNAUD, C

ELLINGER, Y

HENNICO, G

DELHALLE, J

机构：

[1] CEA SACLAY,PHOTOCHIM ETUDE REACTIV SECT,F-91191 GIF SUR YVETTE,FRANCE

[2] FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM

[3] ECOLE NORM SUPER,RADIOASTRON LAB,EQUIPE ASTROCHIM QUANT,F-75231 PARIS 05,FRANCE

[4] ARBED RECH,L-4002 ESCH SUR ALZETTE,LUXEMBOURG

来源：

CHEMICAL PHYSICS | 1991年 / 153卷 / 1-2期

关键词：

D O I：

10.1016/0301-0104(91)90004-D

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：

The electronic properties of allyl cyanide, CH2 = CH(CH2CN), acrylonitrile, CH2 = CHCN and ethylene, CH2 = CH2, are compared when the molecules are submitted to high electric fields (up to 2.056 x 10(10) V/m). Particular attention is focused on the C = C double bond of the molecules. The related charge transfers are discussed and it is found that electronic conjugation acts as a brake on the response to the field. The frontier orbitals of the three compounds are compared and a singular behaviour is pointed out in allyl cyanide.

引用

页码：39 / 49

页数：11

共 15 条

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