Beryllium bonding: insights from the σ-and π-holes analysis

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...

Full description

Saved in:
Bibliographic Details
Published in:Journal of molecular modeling 2020-04, Vol.26 (5)
Main Author: Alikhani, M Esmaïl
Format: Article
Language:English
Subjects:
Chemical Sciences
or physical chemistry
Theoretical and
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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 SAPT energy decomposition perfectly explains the relevance of the polarization-and dispersion-contribution on the formation of the beryllium bond.
ISSN:1610-2940
0948-5023
DOI:10.1007/s00894-020-4348-1