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.
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收藏
页码：3020 / 3033
页数：14
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