A QUANTUM MECHANICAL APPROACH TO CLASSICAL NONCLASSICAL PROBLEM IN NORBORNYL CATION

被引：43

作者：

KLOPMAN, G

机构：

[1] Chemistry Department, Case Western Reserve University, Cleveland

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1969年 / 91卷 / 01期

关键词：

D O I：

10.1021/ja01029a019

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The LCAOSCF method (PNDDO approximation) has been used to determine among several possible structures the one which is most likely to be the intermediate in the solvolysis of norbornyl derivatives. The corner- and edge-protonated nortricyclenes were found to be the most stable species. This result seems to be compatible with most pertinent experimental data. © 1969, American Chemical Society. All rights reserved.

引用

页码：89 / &

共 16 条

[1] ALLINGER NL, PERSONAL COMMUNICATI
[2] BROWN HC, 1966, CHEM BRIT, V2, P199
[3] STRUCTURES OF NORBORNANE AND 1,4-DICHLORONORBORNANE AS DETERMINED BY ELECTRON DIFFRACTION
CHIANG, JF
WILCOX, CF
BAUER, SH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (12) : 3149 - &
[4] GROUND STATES OF SIGMA-BONDED MOLECULES .I. A SEMIEMPIRICAL SCF MO TREATMENT OF HYDROCARBONS
DEWAR, MJS
KLOPMAN, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (13) : 3089 - &
[5] SEMIEMPIRICAL TREATMENT OF MOLECULAR STRUCTURES .2. MOLECULAR TERMS + APPLICATION TO DIATOMIC MOLECULES
KLOPMAN, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (21) : 4550 - &
[6] ACETOLYSIS OF EXO- AND ENDO-2-T-2-NORBORNYL BROSYLATES
LEE, CC
LAM, LKM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (12) : 2831 - &
[7] MEERWEIN H, 1922, BER, V55, P2507
[8] NEVELL TP, 1939, J CHEM SOC, P1192
[9] STABLE CARBONIUM IONS .72. RAMAN AND NUCLEAR MAGNETIC RESONANCE SPECTROSCOPIC STUDY OF NORTRICYCLONIUM ION (PROTONATED TRICYCLO[2.2.1.0 ]HEPTANE AND ITS RELATIONSHIP TO 2-NORBORNYL (BICYCLO[2.2.1.]HEPTYL) CATION . CLARIFICATION OF NATURE OF STABLE LONG-LIVED NORBORNYL CATION IN STRONG ACID SOLUTIONS
OLAH, GA
COMMEYRA.A
LUI, CY
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (14) : 3882 - &
[10] OLAH GA, IN PRESS

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