Chattaraj, Pratim Kumar ; Roy, Debesh Ranjan (2007) Aromaticity in polyacene analogues of inorganic ring compounds Journal of Physical Chemistry A, 111 (21). pp. 4684-4696. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp071030s
Related URL: http://dx.doi.org/10.1021/jp071030s
Abstract
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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 6231 |
| Deposited On: | 20 Oct 2010 11:31 |
| Last Modified: | 11 May 2012 11:34 |
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