Superhalogen Anions Supported by the Systems Comprising Alternately Aligned Boron and Nitrogen Central Atoms

Superhalogen Anions Supported by the Systems Comprising Alternately Aligned Boron and Nitrogen Central Atoms

Using DFT/(B3LYP/wB97XD/B2PLYPD) and OVGF electronic structure methods with flexible atomic orbital basis sets, we examined the series of polynuclear superhalogen anions matching the (BF3(BN)nF4n+1)– formula (for n = 1-10,13,18-20) containing alternately aligned boron and nitrogen central atoms deco...

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Bibliographic Details
Main Authors: Adrianna Cyraniak, Dawid Faron, Sylwia Freza, Iwona Anusiewicz, Piotr Skurski
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-04-01
Series:Frontiers in Chemistry
Subjects:
polynuclear superhalogens
anions
electronic transmutation
excess electron
electron binding energies
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.863408/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2022.863408/full

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