A different story of π-delocalization -: The distortivity of π-electrons and its chemical manifestations

被引：247

作者：

Shaik, S ^{[1
]}

Shurki, A

Danovich, D

Hiberty, PC

机构：

[1] Hebrew Univ Jerusalem, Dept Organ Chem, IL-91904 Jerusalem, Israel

[2] Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Computat Quantum Chem, IL-91904 Jerusalem, Israel

[3] Univ Paris 11, Chim Phys Lab, Grp Chim Theor, F-91405 Orsay, France

来源：

CHEMICAL REVIEWS | 2001年 / 101卷 / 05期

关键词：

D O I：

10.1021/cr990363l

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A study on the π-delocalization and distortivity of the π-electrons and its chemical manifestations was presented. The quantum chemical notion of π-delocalization was presented. The thermochemical properties of delocalized species and their relation to vertical resonance energies and π distortivities were discussed. The study also included the structural and spectroscopic manifestations of ground state π-distortivity in benzene, naphthalene, anthracene and antiaromatic molecules.

引用

页码：1501 / 1539

页数：39

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