Beryllium Bonding: Insights from the σ- and π-hole Analysis

Overview

Journal J Mol Model

Publisher Springer

Specialty Molecular Biology

Date 2020 Apr 6

PMID 32248314

Citations 3

Authors

M Esmail Alikhani

Affiliations

Soon will be listed here.

Abstract

Beryllium bonding is actually a subclass of secondary bonding. Similar to the case of halogen bonding, the σ- and π-holes on the Be atom of the monomers give in zeroth approximation the direction of electrophilic attack favorable to the formation of beryllium bonds. The nature of beryllium bonding is purely electrostatic so that the symmetry-adapted perturbation theory energy decomposition perfectly explains the relevance of the polarization and dispersion contribution on the formation of the beryllium bond.

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Sigma-Hole and Lone-Pair-Hole Site-Based Interactions of Seesaw Tetravalent Chalcogen-Bearing Molecules with Lewis Bases.

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