Are Various σ-Hole Bonds Steered by the Same Mechanisms?
Sławomir J GrabowskiW Andrzej SokalskiPublished in: Chemphyschem : a European journal of chemical physics and physical chemistry (2017)
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.