AROMATIC NITRENIUM IONS BASED ON 1H-AZEPINE .1. ABINITIO STUDIES AT THE RHF, UHF, AND CASSCF LEVELS

被引：20

作者：

SMITH, DA

BITAR, J

机构：

[1] Department of Chemistry, University of Toledo, Toledo

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1993年 / 58卷 / 01期

关键词：

D O I：

10.1021/jo00053a003

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Ab initio molecular orbital studies at the HF, MP2, and CASSCF levels of theory of the singlet and triplet nitrenium ions derived from 1H-azepine show significant structural differences between the compounds of different spin states.

引用

页码：6 / 8

页数：3