Novel hydrogen bonding of a C(sp 2 ) atom in planar tetracoordinate carbon molecules

Physical Chemistry Chemical Physics 2026 Open access

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Authors: Nisha Job, Venkatesan S. Thimmakondu, Vijayanand Chandrasekaran, Krishnan Thirumoorthy
DOI: 10.1039/d5cp04309c
Cited by: 0
References: 35

Abstract

the QTAIM analysis confirmed the presence of a non-covalent interaction. The electron density and its Laplacian at the BCP supported the closed-shell character of the interaction, consistent with non-covalent bonding. Natural bond orbital (NBO) analysis indicated stable donor-acceptor interactions between the ptC center and the hydride fragment, supporting the presence of a non-covalent interaction. Non-covalent interaction (NCI) analysis, based on the reduced density gradient (RDG) method, provided visual and topological insights into the nature of the non-covalent interaction.

Fields of Study & Subjects

Advanced Chemical Physics Studies Crystallography and molecular interactions Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Physical Chemistry Chemical Physics
Volume
28
Issue
11
Pages
6828–6834
Publication date
1 January 2026
Language
EN