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Are Various σ‐Hole Bonds Steered by the Same Mechanisms?
Author(s) -
Grabowski Sławomir J.,
Sokalski W. Andrzej
Publication year - 2017
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201700224
Subject(s) - chalcogen , frustrated lewis pair , hydrogen bond , lewis acids and bases , atoms in molecules , chemistry , halogen bond , molecule , halogen , perturbation theory (quantum mechanics) , computational chemistry , chemical physics , quantum , crystallography , quantum mechanics , physics , organic chemistry , catalysis , alkyl
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.