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Open AccessArticle

Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nam. 2, 166 10 Prague 6, Czech Republic
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;
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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