Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane

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 dicarba...

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Autores principales: Fanfrlík, Jindřich, Hnyk, Drahomír, Hobza, Pavel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680755/
https://www.ncbi.nlm.nih.gov/pubmed/31340435
http://dx.doi.org/10.3390/molecules24142657
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author Fanfrlík, Jindřich
Hnyk, Drahomír
Hobza, Pavel
author_facet Fanfrlík, Jindřich
Hnyk, Drahomír
Hobza, Pavel
author_sort Fanfrlík, Jindřich
collection PubMed
description 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-C(2)B(10)H(10))(2)Se(4)•toluene and a single crystal of (1,2-C(2)B(10)H(10))(2)Te(4).
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spelling pubmed-66807552019-08-09 Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane Fanfrlík, Jindřich Hnyk, Drahomír Hobza, Pavel Molecules Article 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-C(2)B(10)H(10))(2)Se(4)•toluene and a single crystal of (1,2-C(2)B(10)H(10))(2)Te(4). MDPI 2019-07-23 /pmc/articles/PMC6680755/ /pubmed/31340435 http://dx.doi.org/10.3390/molecules24142657 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Fanfrlík, Jindřich
Hnyk, Drahomír
Hobza, Pavel
Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane
title Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane
title_full Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane
title_fullStr Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane
title_full_unstemmed Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane
title_short Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane
title_sort chalcogen bonding due to the exo-substitution of icosahedral dicarbaborane
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680755/
https://www.ncbi.nlm.nih.gov/pubmed/31340435
http://dx.doi.org/10.3390/molecules24142657
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AT hnykdrahomir chalcogenbondingduetotheexosubstitutionoficosahedraldicarbaborane
AT hobzapavel chalcogenbondingduetotheexosubstitutionoficosahedraldicarbaborane

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