Are Various σ-Hole Bonds Steered by the Same Mechanisms?

Chemphyschem

Department of Chemistry K1/W1, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, 50-370, Wrocław, Poland.

Published: June 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.

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http://dx.doi.org/10.1002/cphc.201700224DOI Listing

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