Thermodynamic Hydricity of Small Borane Clusters and Polyhedral <i>closo</i>-Boranes

Thermodynamic Hydricity of Small Borane Clusters and Polyhedral <i>closo</i>-Boranes

Thermodynamic hydricity (HDA<sup>MeCN</sup>) determined as Gibbs free energy (ΔG°[H]<sup>−</sup>) of the H<sup>−</sup> detachment reaction in acetonitrile (MeCN) was assessed for 144 small borane clusters (up to 5 boron atoms), polyhedral <i>closo</i>-...

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Bibliographic Details
Main Authors: Igor E. Golub, Oleg A. Filippov, Vasilisa A. Kulikova, Natalia V. Belkova, Lina M. Epstein, Elena S. Shubina
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Molecules
Subjects:
polyhedral boranes
borane clusters
borohydrides
Lewis acidity
hydride donating ability
DFT calculations
Online Access:https://www.mdpi.com/1420-3049/25/12/2920

Internet

https://www.mdpi.com/1420-3049/25/12/2920

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