Aromaticity in polyacene analogues of inorganic ring compounds.
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.
Chattaraj
Pratim Kumar
PK
Department of Chemistry, Indian Institute of Technology, Kharagpur 721302, India. pkc@chem.iitkgp.ernet.in
Roy
Debesh Ranjan
DR