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Issue 11, 2019, Issue in Progress
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Hydrogen bonding capabilities of group 14 homologues of HCN and HNC

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Abstract

This study is directed towards assessing hydrogen bond acceptor/donor capabilities of heavier group 14 homologues of HCN and HNC. A structural, energetic and topological study using ab initio (MP2, CCSD(T)), electrostatic potential (EP) and quantum theory of atoms in molecules (QTAIM) methodologies was carried out on HNX⋯HNX and HXN⋯HXN dimers and their respective monomers, where X = C, Si, Ge, Sn and Pb. The obtained results suggest the presence of weak hydrogen bonds in both kinds of complexes, and remarkably Ge and Sn act as unconventional hydrogen donors.

Graphical abstract: Hydrogen bonding capabilities of group 14 homologues of HCN and HNC

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Supplementary files

Article information


Submitted
31 Jan 2019
Accepted
10 Feb 2019
First published
18 Feb 2019

This article is Open Access

RSC Adv., 2019,9, 5937-5941
Article type
Paper

Hydrogen bonding capabilities of group 14 homologues of HCN and HNC

Joanatan M. Bautista-Renedo, H. Reyes-Pérez, E. Cuevas-Yáñez, C. Barrera-Díaz, N. González-Rivas and J. Ireta, RSC Adv., 2019, 9, 5937
DOI: 10.1039/C9RA00856J

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