DOI

Treatment of the aromatic aminonitrones p-RC6H4C(NH2)[dbnd]N+(Me)O (R = NMe2, Cl) with CuCl2·2H2O, NiCl2·2H2O, β-PdCl2, or cis-[PtCl2(Me2SO)2] in the presence of a base leads to the [M{p-RC6H4C(NH)[dbnd]N+(Me)O}2] (M = Cu, Ni, Pd) (72–95%) or [Pt{p-RC6H4C(NH)[dbnd]N+(Me)O}Cl(Me2SO)] (ca. 80%) complexes, respectively. These compounds were characterized by elemental analyses (C, H, N), HRESI+-MS, FTIR, 1H and 13C{1H} NMR, and for the CuII and NiII complexes EPR and magnetic susceptibility. In addition, eight species were studied by single-crystal X-ray diffraction. In the X-ray structures of 2a–d, the hydrogen bonds are responsible for the formation of 1D polymeric chains. These bonds were evaluated by DFT calculations (M06/DZP-DKH level of theory) and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). Estimated strengths of these non-covalent interactions are 2.7–4.4 kcal/mol.

Язык оригиналаанглийский
Страницы (с-по)372-378
Число страниц7
ЖурналInorganica Chimica Acta
Том467
DOI
СостояниеОпубликовано - 1 окт 2017

    Предметные области Scopus

  • Физическая и теоретическая химия
  • Неорганическая химия
  • Химия материалов

ID: 9169931