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Theoretical Insight into B–C Chemical Bonding in <i>Closo</i>-Borate [B<sub>n</sub>H<sub>n−1</sub>CH<sub>3</sub>]<sup>2−</sup> (n = 6, 10, 12) and Monocarborane [CB<sub>n</sub>H<sub>n</sub>CH<sub>3</sub>]<sup>−</sup> (n = 5, 9, 11) Anions

A theoretical investigation of mono-methyl derivatives of <i>closo</i>-borate anions of the general form [B<sub>n</sub>H<sub>n</sub>CH<sub>3</sub>]<sup>2–</sup> (n = 6, 10, 12) and monocarboranes [HCB<sub>n</sub>H<sub>n</sub>CH<sub>3</sub>]<sup>−</sup> (n = 5, 9, 11) was carried out. An analysis of...

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Enregistré dans:
Auteurs principaux: Ilya N. Klyukin, Anastasia V. Kolbunova, Alexander S. Novikov, Andrey P. Zhdanov, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
Format: Artigo
Langue:Inglês
Publié: MDPI AG 2022-10-01
Collection:Inorganics
Sujets:
<i>closo</i>-borate
carborane
DFT
QTAIM
ELF
NBO
Accès en ligne:https://www.mdpi.com/2304-6740/10/11/186
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