GEOMETRY AND ELECTRONIC STRUCTURE OF SUBSTITUTED SCHIFFS BASES

被引:45
作者
HOULDEN, SA
CSIZMADI.IG
机构
[1] Department of Chemistry, Lash Miller Chemical Laboratories University of Toronto, Toronto 5, Ont.
关键词
D O I
10.1016/S0040-4020(01)82687-9
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
One electron Extended Hückel Molecular Orbital (EHMO) theory has been used to study the conformational geometry of five benzal-p-X-aniline (X = H, Me3, Cl, Br, Me3O) Schiff's bases. The electronic structure predicted by this method was used as a guide for a least squares resolution of the observed electronic (UV) spectra. The resultant resolved spectra are discussed in terms of correlations of band shifts with substituent properties. © 1969.
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页码:1137 / &
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