In Silico Search for Boron‐Beryllium Dative Bond

Quantum chemical calculations have been performed to search for the possibility of dative bond formation between two old neighbors, boron and beryllium. The studied compounds have been found to have high bond dissociation energies. The thermodynamics of their formation is also very favorable. Differ...

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Bibliographic Details
Published in:European journal of inorganic chemistry 2020-06, Vol.2020 (21), p.2080-2084
Main Authors: Kalita, Amlan Jyoti, Rohman, Shahnaz S., Kashyap, Chayanika, Ullah, Sabnam S., Chakraborty, Antara, Guha, Ankur K.
Format: Article
Language:English
Subjects:
Beryllium
Beryllium compounds
Bond theory
Boron
Boron compounds
Carbene homologues
Chemical bonds
Computational chemistry
Inorganic chemistry
Quantum chemistry
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Summary:Quantum chemical calculations have been performed to search for the possibility of dative bond formation between two old neighbors, boron and beryllium. The studied compounds have been found to have high bond dissociation energies. The thermodynamics of their formation is also very favorable. Different bonding as well as topological analyses confirm the presence of a dative bond between the two neighbors. Owing to the scarcity of B–Be bonded compounds, this study aims to extend the library of such compounds. Handshake: Quantum chemical calculations predict the formation of dative bonds between two old neighbors, boron and beryllium.
ISSN:1434-1948
1099-0682
DOI:10.1002/ejic.202000205