Hydrogen bonding capabilities of group 14 homologues of HCN and HNC.
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ABSTRACT:
SUBMITTER: Bautista-Renedo JM
PROVIDER: S-EPMC9060874 | biostudies-literature | 2019 Feb
REPOSITORIES: biostudies-literature
Publications
Hydrogen bonding capabilities of group 14 homologues of HCN and HNC.
Bautista-Renedo Joanatan M JM Reyes-Pérez Horacio H Cuevas-Yáñez Erick E Barrera-Díaz Carlos C González-Rivas Nelly N Ireta Joel J
RSC advances 20190218 11
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 <i>ab initio</i> (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 co ...[more]
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