GROUND STATES OF SIGMA-BONDED MOLECULES .6. BENZENE AND ITS ISOMERS . INDUCTIVE EFFECTS IN BENZENE

被引：70
作者：
BAIRD, NC
DEWAR, MJS
机构：
[1] Department of Chemistry, University of Texas, Austin
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1969年 / 91卷 / 02期
关键词：
D O I：
10.1021/ja01030a024
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The MINDO SCF MO method has been used to calculate the heats of formation of benzene, and some of its nonacetylenic isomers. Calculations are also reported for benzene carrying a “pure inductive” substituent, which seem to throw light on the transmission of inductive effects. © 1969, American Chemical Society. All rights reserved.
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页码：352 / &
相关论文
共 19 条
[1]  
BAIRD NC, IN PRESS
[2]  
DELLANO CR, 1968, THESIS U TEXAS
[3]  
Dewar M.J.S., 1965, CHEM ENG NEWS, V43, P86
[4]  
Dewar M. J. S., 1966, TETRAHEDRON S, V8, P75
[5]   RESONANCE AND CONJUGATION .2. FACTORS DETERMINING BOND LENGTHS AND HEATS OF FORMATION [J].
DEWAR, MJS ;
SCHMEISING, HN .
TETRAHEDRON, 1960, 11 (1-2) :96-120
[6]   A RE-EVALUATION OF CONJUGATION AND HYPERCONJUGATION - THE EFFECTS OF CHANGES IN HYBRIDISATION ON CARBON BONDS [J].
DEWAR, MJS ;
SCHMEISING, HN .
TETRAHEDRON, 1959, 5 (2-3) :166-178
[7]   GROUND STATES OF CONJUGATED MOLECULES .3. CLASSICAL POLYENES [J].
DEWAR, MJS ;
GLEICHER, GJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (04) :692-&
[8]   SUBSTITUENT EFFECTS .4. QUANTITATIVE THEORY [J].
DEWAR, MJS ;
GRISDALE, PJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (18) :3548-&
[9]  
DEWAR MJS, TO BE PUBLISHED
[10]   MOLECULAR STRUCTURE OF TRIMETHYLENECYCLOPROPANE [J].
DORKO, EA ;
HENCHER, JL ;
BAUER, SH .
TETRAHEDRON, 1968, 24 (06) :2425-+
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