CAPABILITY OF OXY AND THIO GROUPS TO BEHAVE AS PL-DONORS OR PL-ACCEPTORS - LIMITING CASE OF THE RADICAL-ANIONS OF MONOSUBSTITUTED BENZENES

被引：12

作者：

BERNARDI, F

MANGINI, A

GUERRA, M

PEDULLI, GF

机构：

[1] COMPOSTI CARBONIA CONTENENTI ETEROATOMI,CNR LAB,OZZANO EMILIA,ITALY

[2] UNIV CAGLIARI,IST CHIM,I-09100 CAGLIARI,ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 05期

关键词：

D O I：

10.1021/j100468a017

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：

INDO computations have been carried out for the symmetric and antisymmetric configurations of the radical anions C6H5OR and C6H5SR. It is found that in these species the OR and SR groups, which are π donors in the planar conformation, can also act as π acceptors in the orthogonal conformation. The electron acceptor ability is larger for the SR group and accordingly it is found that the most stable conformation of the C6H5SR radical anions is the orthogonal one. An MO rationalization of these results is offered. © 1979 American Chemical Society.

引用

页码：640 / 643

页数：4

共 16 条

[1] IRRELEVANCE OF D-ORBITAL CONJUGATION .1. ALPHA-THIOCARBANION - COMPARATIVE QUANTUM CHEMICAL STUDY OF STATIC AND DYNAMIC PROPERTIES AND PROTON AFFINITIES OF CARBANIONS ADJACENT TO OXYGEN AND TO SULFUR [J].