Aromaticity in polyacene analogues of inorganic ring compounds

被引：52

作者：

Chattaraj, Pratim Kumar ^{[1
]}

Roy, Debesh Ranjan ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2007年 / 111卷 / 21期

关键词：

D O I：

10.1021/jp071030s

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：

The aromaticity in the polyacene analogues of several inorganic ring compounds (BN-acenes, CN-acenes, AlN-acenes, BO-acenes, BS-acenes, and Na-6-acenes) is reported here for the first time. Conceptual density functional theory-based reactivity descriptors and the nucleus-independent chemical shift (NICS) values are used in this analysis. The nature of the site selectivity is understood through the charges and the philicities.

引用

页码：4684 / 4696

页数：13

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