Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/13677
Title: Na⋅⋅⋅B Bond in NaBH<inf>3</inf><sup>−</sup>: Solving the Conundrum
Authors: Radenkovic, Slavko
Shaik S.
Braida B.
Issue Date: 2021
Abstract: Bonding in the recently synthesized NaBH3− cluster is investigated using the high level Valence Bond BOVB method. Contrary to earlier conclusions, the Na−B bond is found to be neither a genuine dative bond, nor a standard polar-covalent bond at equilibrium. It is rather revealed as a split and polarized weakly coupled electron-pair, which allows this cluster to be more effectively stabilized by a combination of (major) dipole-dipole electrostatic interaction and (secondary) resonant one-electron bonding mechanism. Our analysis of this unprecedented bonding situation extends to similar clusters, and the VB model unifies and articulates the previously published variegated views on this exotic “bond”.
URI: https://scidar.kg.ac.rs/handle/123456789/13677
Type: article
DOI: 10.1002/anie.202100616
ISSN: 1433-7851
SCOPUS: 2-s2.0-85105232504
Appears in Collections:Faculty of Science, Kragujevac

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