N-CONFUSED PORPHYRINS AND SINGLET CARBENES - IS THERE A CONNECTION

被引：68

作者：

GHOSH, A

机构：

[1] UNIV MINNESOTA,MINNESOTA SUPERCOMP INST,MINNEAPOLIS,MN 55415

[2] UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 09期

关键词：

AB INITIO CALCULATIONS; CARBENES; LDF CALCULATIONS; PORPHYRINOIDS;

D O I：

10.1002/anie.199510281

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab initio and density functional calculations suggest that the carbenic tautomer 1 of an N‐confused porphyrin is electronically similar to stable, nucleophilic, aromatic Arduengo‐type carbenes such as 2, as reflected by ionization potentials and single–triplet energy gaps. In addition, this gives a partial explanation of the carbon acidity of N‐confused porphyrins. (Figure Presented.) Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany

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页码：1028 / 1030

页数：3

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