DOI

  • S. A. Adonin
  • A. S. Novikov
  • Yu. K. Smirnova
  • Z. R. Tushakova
  • V. P. Fedin

By the reaction of a CuCl22H2O solution in ethanol with a 2-bromopyridine (2-BrPy) solution in ethanol heteroligand complex [Cu(2-BrPy)2(H2O)Cl2] (1) is obtained and its structure is determined by single crystal XRD. The energies of non-covalent halogen⋯halogen interactions in the crystal structures of 1 and previously obtained [Cu(2-ClPy)2(H2O)Cl2] (2) are estimated by quantum chemical calculations within the density functional theory at the M06/DZP-DKH level and the QTAIM topological analysis of the electron density distribution.

Язык оригиналаанглийский
Страницы (с-по)712-718
Число страниц7
ЖурналJournal of Structural Chemistry
Том61
Номер выпуска5
DOI
СостояниеОпубликовано - мая 2020

    Предметные области Scopus

  • Химия материалов
  • Неорганическая химия
  • Физическая и теоретическая химия

ID: 62025847