Boron-based octahedral dication experimentally detected: DFT surface confirms its availability-Reference-Cited by-同舟云学术

Boron-based octahedral dication experimentally detected: DFT surface confirms its availability

Published:2023 Issue:28 Volume:13 Page:19627-19637
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Keller Willi¹,Sárosi Menyhárt B.²,Fanfrlík Jindřich³^ORCID,Straka Michal³,Holub Josef⁴,McKee Michael L.⁵,Hnyk Drahomír⁴^ORCID

Affiliation:

1. Institut für Chemie, Universität Hohenheim, Garbenstrasse 30, D-70599 Stuttgart, Germany

2. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstrasse 2, 04103 Leipzig, Germany

3. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-166 10 Praha 6, Czech Republic

4. Institute of Inorganic Chemistry of the Czech Academy of Sciences, CZ-250 68 Husinec-Řež, Czech Republic

5. Department of Chemistry and Biochemistry, Auburn University, Auburn, AL, 36849, USA

Abstract

The synthetic efforts and spectroscopic characterization have afforded the first closo-dicationic octahedral phosphahexaborane along with new closo-monocationic pnictogenahexaboranes of the same shapes, whose formation has been DFT-examined.

Funder

Grantová Agentura České Republiky

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA03665K

Reference34 articles.

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3. D.Hnyk and D. A.Wann , Boron: the Fifth Element Challenges and Advances in Computational Chemistry and Physics , ed. D.Hnyk , M. L.McKee , 2016 , vol. 20 , ch. 2 and the extensive references therein

4. A systematic examination of classical and multi-center bonding in heteroborane clusters

5. The Large closo-Borane Dianions, BnHn2- (n = 13−17) Are Aromatic, Why Are They Unknown?

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