title: Are Various σ-Hole Bonds Steered by the Same Mechanisms?
abstract: Representative Lewis acid-Lewis base complexes linked by tetrel, pnicogen, chalcogen, and halogen bonds have been studied within the quantum theory of atoms in molecules (QTAIM) approach and the hybrid variation-perturbation theory (HVPT) to analyze possible relationships between these σ-hole dimers. Results obtained at the MP2/aug-cc-pVTZ level indicate numerous correlations similar to hydrogen-bonded systems.
authors.affiliation: Faculty of Chemistry, University of the Basque Country and Donostia, International Physics Center (DIPC), P.K. 1072, 20080, Donostia, Spain.|IKERBASQUE, Basque Foundation for Science, 48011, Bilbao, Spain.
authors.forename: Sławomir J
authors.identifier: http://orcid.org/0000-0003-4161-2938
authors.initials: SJ
authors.lastname: Grabowski
authors.affiliation: Department of Chemistry K1/W1, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, 50-370, Wrocław, Poland.
authors.forename: W Andrzej
authors.identifier: http://orcid.org/0000-0001-5081-8175
authors.initials: WA
authors.lastname: Sokalski
keywords: computational chemistry; electron transfer; hydrogen bond; quantum chemistry; sigma-hole bond