Research output: Contribution to journal › Article › peer-review
Square-planar aminonitronate transition metal complexes (M = CuII, NiII, PdII, and PtII). / Il'in, Mikhail V.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Chezhina, Natalia V.; Bubnov, Michael P.; Cherkasov, Vladimir K.; Venter, Gertruida J.S.; Roodt, Andreas.
In: Inorganica Chimica Acta, Vol. 467, 01.10.2017, p. 372-378.Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Square-planar aminonitronate transition metal complexes (M = CuII, NiII, PdII, and PtII)
AU - Il'in, Mikhail V.
AU - Bolotin, Dmitrii S.
AU - Novikov, Alexander S.
AU - Suslonov, Vitalii V.
AU - Chezhina, Natalia V.
AU - Bubnov, Michael P.
AU - Cherkasov, Vladimir K.
AU - Venter, Gertruida J.S.
AU - Roodt, Andreas
PY - 2017/10/1
Y1 - 2017/10/1
N2 - 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.
AB - 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.
KW - Amidoxime
KW - Aminonitrone
KW - Metal complexes
KW - Nitrone
KW - Transition metals
UR - http://www.scopus.com/inward/record.url?scp=85028706612&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2017.08.034
DO - 10.1016/j.ica.2017.08.034
M3 - Article
AN - SCOPUS:85028706612
VL - 467
SP - 372
EP - 378
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
SN - 0020-1693
ER -
ID: 9169931