Attractive fluorine···fluorine interactions between perfluorinated alkyl chains: A case of perfluorinated Cu(II) diiminate Cu[C2F5-C(NH)-CF=C(NH)-CF3]2

Victor N. Khrustalev, Anna O. Savchenko, Anna I. Zhukova, Natalia Yu Chernikova, Michael A. Kurykin, Alexander S. Novikov, Alexander G. Tskhovrebov

Research output: Contribution to journalArticlepeer-review

Abstract

A synthesis of the perfluorinated copper diiminate complex Cu[C2F5-C(NH)-CF=C(NH)-CF3]2 (3) and its self-assembly into infinite 1D chains in the crystal via Type II C(sp3)-F···F-C(sp3) contacts between perfluoroethyl substituents is reported. Rare Type II F···F interactions were studied by DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). This is the first report which discusses Type II contacts between perfuoroalkyl chains.

Original languageEnglish
Pages (from-to)117-122
Number of pages6
JournalZeitschrift fur Kristallographie - Crystalline Materials
Volume236
Issue number3
DOIs
StatePublished - 1 Apr 2021

Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

Keywords

  • copper(II)
  • DFT calculations
  • fluorine-fluorine interactions
  • non-covalent interactions
  • perfluorinated diiminates
  • X-ray diffraction

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