Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane

0508876 - ÚOCHB 2020 RIV CH eng J - Článek v odborném periodiku
Fanfrlík, Jindřich - Hnyk, Drahomír - Hobza, Pavel
Chalcogen Bonding due to the Exo-Substitution of Icosahedral Dicarbaborane.
Molecules. Roč. 24, č. 14 (2019), č. článku 2657. E-ISSN 1420-3049
Grant CEP: GA ČR(CZ) GA17-08045S; GA MŠMT(CZ) EF16_019/0000729
Institucionální podpora: RVO:61388963 ; RVO:61388980
Klíčová slova: sigma hole * heteroborane * co-crystal
Obor OECD: Physical chemistry; Inorganic and nuclear chemistry (UACH-T)
Impakt faktor: 3.267, rok: 2019
Způsob publikování: Open access
https://www.mdpi.com/1420-3049/24/14/2657

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 sigma-hole interactions when a chalcogen atom is a part of an icosahedron. This paper studies sigma-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)(2)Se-4 center dot toluene and a single crystal of (1,2-C2B10H10)(2)Te-4.
Trvalý link: http://hdl.handle.net/11104/0299669