THE EFFECTS OF LONE PAIRS ON CHARGE-DISTRIBUTION IN THE TETRACYCLIC NORBORNYL DERIVATIVES

被引：6

作者：

CARNEIRO, JWD

SEIDL, PR

TOSTES, JGR

TAFT, CA

HAMMOND, BL

SOTO, MM

LESTER, WA

机构：

[1] UNIV FED FLUMINENES,DEPT FISICO QUIM,BR-24249 NITEROI,RJ,BRAZIL

[2] CTR BRASILEIRO PESQUISAS FIS,BR-22290 RIO JANEIRO,BRAZIL

[3] FUJITSU AMER INC,COMP RES DIV,SAN JOSE,CA 95134

[4] LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

[5] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 202卷 / 3-4期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(93)85278-V

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：

Ab initio and MM2 calculations are used to investigate charge distributions in different conformations of the hydroxyl groups in unsaturated alcohols containing norbornyl units. The calculated net atomic charges indicate that hydrogens as well as carbons lying between oxygen lone pairs become more positively charged.

引用

页码：278 / 283

页数：6

共 17 条

[1] EVIDENCE FOR THE 1-THIA-3-SILA-2,4-DIAZETIDINE HETEROCYCLIC SYSTEM WITH 3 PARALLEL LONE PAIRS FROM AN ESR SPECTROSCOPIC STUDY OF ITS CATION RADICAL [J].