One Molecule, Two Atoms, Three Views, Four Bonds?

被引：114

作者：

Shaik, Sason ^{[1
,2
]}

Rzepa, Henry S. ^{[3
]}

Hoffmann, Roald ^{[4
]}

机构：

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

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

[3] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England

[4] Cornell Univ, Dept Chem & Chem Biol, Baker Lab, Ithaca, NY 14853 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2013年 / 52卷 / 10期

关键词：

C2; diradical; multiconfigurational systems; quadruple bond; valence bond; AB-INITIO THERMOCHEMISTRY; ELECTRONIC-STRUCTURE; CONFIGURATION-INTERACTION; HYDROGEN-ABSTRACTION; TRANSITION-METALS; CARBON; STATES; C2; VALENCE; C-2;

D O I：

10.1002/anie.201208206

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

What could be simpler than C2, a diatomic molecule that has the second strongest homonuclear bond? This molecule turns out to be a microcosm of the bonding issues that bother chemists, as is shown in this trialogue. Join the three authors in their lively debate, light a candle, as Faraday did, and see the excited states of C2! Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：3020 / 3033

页数：14

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