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The Influence of Halogenated Hypercarbon on Crystal Packing in the Series of 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes (X = F, Cl, Br, I)

M. Havránek, MA. Samsonov, J. Holub, Z. Růžičková, L. Drož, A. Růžička, J. Fanfrlík, D. Hnyk,

. 2020 ; 25 (5) : . [pub] 20200306

Jazyk angličtina Země Švýcarsko

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/bmc20028402

Grantová podpora
19-17156S Grantová Agentura České Republiky

Although 1-Ph-2-X-closo-1,2-C2B10H10 (X = F, Cl, Br, I) derivatives had been computed to have positive values of the heat of formation, it was possible to prepare them. The corresponding solid-state structures were computationally analyzed. Electrostatic potential computations indicated the presence of highly positive σ-holes in the case of heavy halogens. Surprisingly, the halogen•••π interaction formed by the Br atom was found to be more favorable than that of I.

Citace poskytuje Crossref.org

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