Bonding, reactivity and aromaticity in the light of the multicenter indices

被引：29
|
作者：
Roy, D. R. [1 ]
Bultinck, P. [2 ]
Subramanian, V. [3 ]
Chattaraj, P. K. [1 ]
机构：
[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
[2] Indian Inst Technol, Ctr Theoret Studies, Kharagpur 721302, W Bengal, India
[3] Cent Leather Res Inst, Chem Lab, Madras 600020, Tamil Nadu, India
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2008年 / 854卷 / 1-3期
关键词：
multicenter bond index (MCI); aromaticity; NICS; bonding; reactivity;
D O I：
10.1016/j.theochem.2007.12.042
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Some representative chemical reactions and all-metal aromatic/antiaromatic compounds are studied ab initio in order to understand the efficacy of the multicenter indices in providing insights into the associated bonding, reactivity and aromaticity. It is observed that the said indices serve the purpose in most cases. (c) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：35 / 39
页数：5
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