Can Dative Bond Between Two Anions Possible?

Chemphyschem

Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University Panbazar, Guwahati, Assam, 781001, India.

Published: October 2023

Formation of a genuine chemical bond between two similarly charged fragments is beyond expectation. Any such interaction generally lies in the realm of non-covalent interaction. Herein, formation of a strong dative covalent bond between two anionic fragments is reported for the first time. Calculation using ab initio coupled cluster theory reveals the formation of an unprecedented strong H Be ←X (X =CH , CN , OH , F ) dative covalent bond. The calculated bond dissociation energies in polar solvents are significant, which indicates the possibility of their experimental realization.

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http://dx.doi.org/10.1002/cphc.202300403DOI Listing

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