Comment on Strong BeBe bonds in double-aromatic bridged Be(-SO) molecules by F. Rezaie and S. Noorizadeh, , 2022, 51, 12596

Metalmetal interactions have always fascinated chemists. One such interesting example is the BeBe interaction. Recently, a strong BeBe interaction in a bridged Be 2 (-SO) cluster has been proposed by Rezaie et al. I, hereby, challenge their view. Detailed calculations reveal that there is no BeBe in...

Full description

Saved in:
Bibliographic Details
Published inDalton transactions : an international journal of inorganic chemistry Vol. 52; no. 35; pp. 1256 - 12561
Main Author Guha, Ankur Kanti
Format Journal Article
Published 13.09.2023
Online AccessGet full text

Cover

More Information
Summary:Metalmetal interactions have always fascinated chemists. One such interesting example is the BeBe interaction. Recently, a strong BeBe interaction in a bridged Be 2 (-SO) cluster has been proposed by Rezaie et al. I, hereby, challenge their view. Detailed calculations reveal that there is no BeBe interaction in the proposed cluster. In fact, the proposed bridged structure is energetically very high on the potential energy surface. The global minimum has completely different geometry from that reported by Rezaie et al. and features no BeBe interaction at all. Quantum chemical calculations reveal that there is no BeBe bond in the global minimum geometry of Be 2 SO clusters. The BeBe bonded geometry is energetically very high on the potential energy surface.
Bibliography:https://doi.org/10.1039/d3dt00774j
Electronic supplementary information (ESI) available: Cartesian coordinates of all the isomers along with their total energies. See DOI
ISSN:1477-9226
1477-9234
DOI:10.1039/d3dt00774j