QUANTUM CHEMICAL INTERPRETATION OF ROTATIONAL ISOMERISM AND ELECTRONIC SPECTRA OF ALPHA-DIAZO KETONES

被引：36

作者：

CSIZMADI.IG

HOULDEN, SA

MERESZ, O

YATES, P

机构：

[1] Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto, Toronto 5, Ont.

来源：

TETRAHEDRON | 1969年 / 25卷 / 10期

关键词：

D O I：

10.1016/S0040-4020(01)82763-0

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Application of Hoffmann's Extended Hückel MO method to diazoacetone and α-diazoacetophenone has been found to provide a quantum mechanical basis for previous postulations that α-diazo ketones can exist in two conformations. These are shown to be the cis and trans conformers for both diazoacetone and α-diazoacetophenone. It has been shown also that the electronic spectra of these α-diazo ketones, when resolved into Gaussian components, can be satisfactorily interpreted in terms of the energy levels calculated for each pair of conformers. © 1969.

引用

页码：2121 / +

页数：1

共 25 条

[21] MATHEMATICAL RESOLUTION OF OVERLAPPING SPECTRAL LINES [J].