Aromaticity in polyacene analogues of inorganic ring compounds.

J Phys Chem A

Department of Chemistry, Indian Institute of Technology, Kharagpur 721302, India.

Published: May 2007

The aromaticity in the polyacene analogues of several inorganic ring compounds (BN-acenes, CN-acenes, AlN-acenes, BO-acenes, BS-acenes, and Na6-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.

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http://dx.doi.org/10.1021/jp071030sDOI Listing

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