JAHN-TELLER DISTORTION IN CYCLOPROPENYL RADICAL

被引：37

作者：

POPPINGER, D ^{[1
]}

RADOM, L ^{[1
]}

VINCENT, MA ^{[1
]}

机构：

[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA

来源：

CHEMICAL PHYSICS | 1977年 / 23卷 / 03期

关键词：

D O I：

10.1016/0301-0104(77)85068-4

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：

引用

页码：437 / 442

页数：6

共 20 条

[1] AB-INITIO STUDY OF METHYLCARBENE AND STEREOCHEMISTRY OF ITS REARRANGEMENT TO ETHYLENE [J].

ALTMANN, JA ;

CSIZMADI.IG ;

YATES, K .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (13) :4196-4201

[2] CYCLOPROPENYL FREE-RADICAL - AB-INITIO MOLECULAR-ORBITAL STUDY [J].

BAIRD, NC .

JOURNAL OF ORGANIC CHEMISTRY, 1975, 40 (05) :624-627

[3]

BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701

[4] GROUND-STATES OF MOLECULES .19. CARBENE AND ITS REACTIONS [J].

BODOR, N ;

WASSON, JS ;

DEWAR, MJS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) :9095-9102

[5] ESR-SPECTRUM OF CYCLOPROPENYL RADICAL [J].

CIRELLI, G ;

GRAF, F ;

GUNTHARD, HH .

CHEMICAL PHYSICS LETTERS, 1974, 28 (04) :494-496

[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[7] AB-INITIO STUDY ON STABILITY, GEOMETRY AND ELECTRONIC-STRUCTURE OF CYCLOPROPENYL SYSTEM [J].

HA, TK ;

GRAF, F ;

GUNTHARD, HH .

JOURNAL OF MOLECULAR STRUCTURE, 1973, 15 (03) :335-350

[8]

HEHRE WJ, 1973, QCPE236 U IND PROGR

[9] Stability of polyatomic molecules in degenerate electronic states. I. Orbital degeneracy [J].

Jahn, HA ;

Teller, E .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1937, 161 (A905) :220-235

[10]

LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175

← 1 2 →