AN AB INITIO SCF-LCAO-MO STUDY OF NITROGEN INVERSION BARRIERS IN METHYLENIMINE DIIMIDE AND CARBODIIMIDE

被引:116
作者
LEHN, JM
MUNSCH, B
机构
来源
THEORETICA CHIMICA ACTA | 1968年 / 12卷 / 01期
关键词
D O I
10.1007/BF00527012
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
收藏
页码:91 / &
相关论文
共 16 条
[1]   THERMAL CIS-TRANS ISOMERIZATION OF DIIMIDE . A THEORETICAL STUDY [J].
ALSTER, J ;
BURNELLE, LA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (05) :1261-&
[2]   INFRARED SPECTRUM + STRUCTURE OF DIIMIDE [J].
BLAU, EJ ;
HOCHHEIMER, BF .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) :1174-&
[3]   UNCATALYZED SYN-ANTI ISOMERIZATION OF IMINES OXIME ETHERS AND HALOIMINES [J].
CURTIN, DY ;
GRUBBS, EJ ;
MCCARTY, CG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (12) :2775-&
[4]   A MOLECULAR ORBITAL STUDY OF ISOMERIZATION MECHANISM OF DIAZACUMULENES [J].
GORDON, MS ;
FISCHER, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (10) :2471-&
[5]   CHEMISTRY OF DIIMINE [J].
HUNIG, S ;
MULLER, HR ;
THIER, W .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1965, 4 (04) :271-&
[6]   LCAO SCF COMPUTATIONS FOR AMMONIA [J].
KALDOR, U ;
SHAVITT, I .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) :888-&
[7]   INVERSION BARRIERS OF PYRAMIDAL (XY3) AND RELATED PLANAR (=XY) SPECIES [J].
KOEPPL, GW ;
SAGATYS, DS ;
KRISHNAM.GS ;
MILLER, SI .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (14) :3396-&
[8]   HINDERED NITROGEN INVERSION IN N-HALOGENOAZIRIDINES AND IN N-HALOGENOAZETIDINES [J].
LEHN, JM ;
WAGNER, J .
CHEMICAL COMMUNICATIONS, 1968, (03) :148-&
[9]  
LEHN JM, IN PRESS
[10]   ELECTRONIC STATES OF AZOALKANES [J].
ROBIN, MB ;
HART, RR ;
KUEBLER, NA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (07) :1564-&