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Open AccessArticle

Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane

1
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nam. 2, 166 10 Prague 6, Czech Republic
2
Institute of Inorganic Chemistry of the Czech Academy of Sciences, 250 68 Husinec-Řež, Czech Republic
*
Authors to whom correspondence should be addressed.
Academic Editor: Antonio Caballero
Molecules 2019, 24(14), 2657; https://doi.org/10.3390/molecules24142657
Received: 4 June 2019 / Revised: 9 July 2019 / Accepted: 11 July 2019 / Published: 23 July 2019
(This article belongs to the Special Issue σ and π Holes: A New Class of Non-Covalent Interactions)
Chalcogen atoms are a class of substituents capable of generating inner and outer derivatives of boron clusters. It is well known that chalcogenated boron clusters can form strong σ-hole interactions when a chalcogen atom is a part of an icosahedron. This paper studies σ-hole interactions of dicarbaboranes with two exopolyhedral chalcogen atoms bonded to carbon vertices. Specifically, a computational investigation has been carried out on the co-crystal of (1,2-C2B10H10)2Se4•toluene and a single crystal of (1,2-C2B10H10)2Te4. View Full-Text
Keywords: sigma hole; heteroborane; co-crystal sigma hole; heteroborane; co-crystal
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MDPI and ACS Style

Fanfrlík, J.; Hnyk, D.; Hobza, P. Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane. Molecules 2019, 24, 2657.

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