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Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane.

ABSTRACT: 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 ?-hole interactions when a chalcogen atom is a part of an icosahedron. This paper studies ?-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.

SUBMITTER: Fanfrlik J

PROVIDER: S-EPMC6680755 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane.

Fanfrlík Jindřich J Hnyk Drahomír D Hobza Pavel P

Molecules (Basel, Switzerland) 20190723 14

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 ...[more]

PMID: 31340435

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