AM1 study of the chiral stabilities of ketenimines

被引：3

作者：

Yavari, I

Tahmassebi, D

Zonouzi, A

Nori-Shargh, D

机构：

[1] Tarbiat Modares Univ, Dept Chem, Tehran, Iran

[2] Islamic Azad Univ, Dept Chem, Tehran, Iran

来源：

JOURNAL OF CHEMICAL RESEARCH | 1997年 / 12期

关键词：

D O I：

10.1039/a703613b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

AM1 semi-empirical SCF MO calculations are used to investigate the configurational racemization energies and structural properties of ketenimines 1a-r; these calculations show that stereoisomerization proceeds through nitrogen atom inversion and rotation around the C=C or C=N bond, and that it requires about 40 to 60 kJ mol(-1) more energy than nitrogen inversion alone.

引用

页码：476 / 477

页数：3

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