One-dimensional polymeric polybromotellurates(IV): Structural and theoretical insights into halogen⋯halogen contacts

Andrey N. Usoltsev, Sergey A. Adonin, Alexander S. Novikov, Denis G. Samsonenko, Maxim N. Sokolov, Vladimir P. Fedin

Research output: Contribution to journalArticlepeer-review

32 Citations (Scopus)

Abstract

Reactions of TeO2 and Br2 in concentrated HBr in the presence of various organic cations resulted in the formation of one-dimensional supramolecular polymers with the structure cation2{[TeBr6](Br2)}. In the crystal structures, the Br2 units are connected to [TeBr6]2- octahedra via halogen-halogen contacts, building linear chains of two different geometries. The nature of the Br⋯Br, Br⋯Cl, and Cl⋯Cl contacts in the present and previously reported complexes of this family was investigated by theoretical methods, allowing the estimation of their energies (0.9-3.8 kcal mol-1).

Original languageEnglish
Pages (from-to)5934-5939
Number of pages6
JournalCrystEngComm
Volume19
Issue number39
DOIs
Publication statusPublished - 21 Oct 2017

Keywords

  • CRYSTAL-STRUCTURE
  • PHENYLTRIMETHYLAMMONIUM SALTS
  • THERMOCHROMIC PROPERTIES
  • IONIC COMPOUND
  • CENTER-DOT
  • HALOGEN
  • BROMINE
  • ELECTRON
  • HEXACHLOROTELLURATE(IV)
  • NONABROMOANTIMONATE(V)

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