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Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding. / Repina, Olga V.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kritchenkov, Andreii S.; Vasin, Alexander A.; Tskhovrebov, Alexander G.
в: Inorganica Chimica Acta, Том 502, 119378, 01.03.2020.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding
AU - Repina, Olga V.
AU - Novikov, Alexander S.
AU - Khoroshilova, Olesya V.
AU - Kritchenkov, Andreii S.
AU - Vasin, Alexander A.
AU - Tskhovrebov, Alexander G.
PY - 2020/3/1
Y1 - 2020/3/1
N2 - Preparation of the novel Pd-II osazone complex and its self-assembly into lasagna-like arrays in the solid state via rare C(sp(2))-H center dot center dot center dot Hal hydrogen bonding, as well as N-H center dot center dot center dot Ph weak contact is reported. The rare Pd-II osazone complex was characterized using elemental analyses (C, H, N), ESI-MS, IR, H-1 and C-13 NMR techniques and X-ray diffraction analysis. The intermolecular non-covalent interactions C-H center dot center dot center dot Cl and N-H center dot center dot center dot Ph responsible for the formation of 1D supramolecular polymeric chains in the crystal were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 1.3-1.6 kcal/mol.
AB - Preparation of the novel Pd-II osazone complex and its self-assembly into lasagna-like arrays in the solid state via rare C(sp(2))-H center dot center dot center dot Hal hydrogen bonding, as well as N-H center dot center dot center dot Ph weak contact is reported. The rare Pd-II osazone complex was characterized using elemental analyses (C, H, N), ESI-MS, IR, H-1 and C-13 NMR techniques and X-ray diffraction analysis. The intermolecular non-covalent interactions C-H center dot center dot center dot Cl and N-H center dot center dot center dot Ph responsible for the formation of 1D supramolecular polymeric chains in the crystal were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method). Estimated strength of these non-covalent interactions is 1.3-1.6 kcal/mol.
KW - Crystal engineering
KW - DFT
KW - Hydrogen bonding
KW - Non-covalent interactions
KW - Osazones
KW - Palladium
KW - QTAIM
KW - Schiff-base complexes
KW - Supramolecular polymers
KW - VAN
KW - VOLUMES
KW - IDENTIFICATION
KW - ENERGIES
UR - http://www.scopus.com/inward/record.url?scp=85076709475&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2019.119378
DO - 10.1016/j.ica.2019.119378
M3 - Article
AN - SCOPUS:85076709475
VL - 502
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
SN - 0020-1693
M1 - 119378
ER -
ID: 51282971