Some novel molecular frameworks involving representative elements

Arindam Chakraborty; Sateesh Bandaru; Ranjita Das; Soma Duley; Santanab Giri; Koushik Goswami; Sukanta Mondal; Sudip Pan; Soumya Sen; Pratim K. Chattaraj

doi:10.1039/C2CP41424D

Some novel molecular frameworks involving representative elements†

Arindam Chakraborty,^a Sateesh Bandaru,^a Ranjita Das,^a Soma Duley,^a Santanab Giri,^b Koushik Goswami,^a Sukanta Mondal,^a Sudip Pan,^a Soumya Sen^a and Pratim K. Chattaraj*^a

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^a Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology, Kharagpur – 721 302, India
E-mail: pkc@chem.iitkgp.ernet.in

^b CIMAT, Universidad de Chile & QTC, Pontificia Universidad Católica de Chile, Santiago, Chile

Abstract

Several new molecular frameworks with interesting structures, based on clusters of main group elements have been studied at different levels of theory with various basis sets. Conceptual density functional theory based reactivity descriptors and nucleus independent chemical shift provide important insights into their bonding, reactivity, stability and aromaticity.

This article is part of the themed collection: Predicting new molecules by quantum chemical methods

Physical Chemistry Chemical Physics

Some novel molecular frameworks involving representative elements†

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