Aromatic B3 ring stabilized group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)

Quantum chemical calculations predict a strong Group 2 (Be, Mg, Ca) metal-metal interaction in the binuclear sandwich type complexes. [Display omitted] Quantum chemical calculations have been performed on B3 ring stabilized Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of binuclear...

Full description

Saved in:
Bibliographic Details
Published in:Polyhedron 2022-03, Vol.215, p.115681, Article 115681
Main Authors: Borah, Ritam R., Kalita, Amlan J., Yashmin, Farnaz, Sarmah, Kangkan, Deka, Rinu P., Konwar, Dimpul, Guha, Ankur K.
Format: Article
Language:English
Subjects:
Aromaticity
DFT
sandwich
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Quantum chemical calculations predict a strong Group 2 (Be, Mg, Ca) metal-metal interaction in the binuclear sandwich type complexes. [Display omitted] Quantum chemical calculations have been performed on B3 ring stabilized Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of binuclear sandwich type complex formation. Calculations indicate single reference character of the studied systems. The complexes have been found to be stable towards dissociation into different fragments. Thermodynamic consideration also indicates the favourability of their formation.
ISSN:0277-5387
DOI:10.1016/j.poly.2022.115681