DOI

Two annulated triazapentadiene systems, viz. 1,3,5,7,9-pentaazanona-1,3,6,8-tetraenate chloride complexes of Pt II, form CCl 4 solvates, containing the Cl 3 C-Cl···Cl-Pt halogen bonds. These halogen bonds are firstly reported type of Cl 3 C-Cl···Cl-M contacts. In the X-ray structures of two solvates different non-covalent interactions were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of QTAIM method at the M06/DZP-DKH level of theory. Estimated energies of these supramolecular contacts vary from 0.6 to 2.4 kcal/mol.

Язык оригиналаанглийский
Страницы (с-по)9-17
Число страниц9
ЖурналZeitschrift fur Kristallographie - Crystalline Materials
Том234
Номер выпуска1
DOI
СостояниеОпубликовано - 1 янв 2019

    Предметные области Scopus

  • Материаловедение (все)
  • Физика конденсатов
  • Неорганическая химия

ID: 33236683