Research output: Contribution to journal › Article › peer-review
Supramolecular polymers derived from the Pt II and Pd II schiff base complexes via C(sp 2 )–H … Hal hydrogen bonding : Combined experimental and theoretical study. / Tskhovrebov, Alexander G.; Novikov, Alexander S.; Odintsova, Olga V.; Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Serebryanskaya, Tatiyana V.; Starova, Galina L.
In: Journal of Organometallic Chemistry, Vol. 886, 15.04.2019, p. 71-75.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Supramolecular polymers derived from the Pt II and Pd II schiff base complexes via C(sp 2 )–H … Hal hydrogen bonding
T2 - Combined experimental and theoretical study
AU - Tskhovrebov, Alexander G.
AU - Novikov, Alexander S.
AU - Odintsova, Olga V.
AU - Mikhaylov, Vladimir N.
AU - Sorokoumov, Viktor N.
AU - Serebryanskaya, Tatiyana V.
AU - Starova, Galina L.
PY - 2019/4/15
Y1 - 2019/4/15
N2 - A synthesis of the Pd II and Pt II N,N-diaryldiazabutadiene complexes and their self-assembly into infinite 1-dimensional chains in the solid state via rare C (sp 2 )–H … Hal hydrogen bonding is reported. All the new compounds were characterized using elemental analyses (C, H, N), ESI-MS, IR, 1 H and 13 C NMR techniques and X-ray diffraction analysis. The nature and energies of intermolecular non-covalent interactions, which are responsible for the supramolecular polymerization, were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). While chloro-complexes, which feature a relatively stronger C (sp 2 )–H … Hal hydrogen bonding, form supramolecular polymers, the iodo-derivative does not self-assemble into 1-D chains due to the dominance of other crystal packing forces over the potential H⋯I contacts. Thus, the C (sp 2 )–H … Hal HB can dictate a packing preference in the solid state and serve as a useful tool for supramolecular engineers.
AB - A synthesis of the Pd II and Pt II N,N-diaryldiazabutadiene complexes and their self-assembly into infinite 1-dimensional chains in the solid state via rare C (sp 2 )–H … Hal hydrogen bonding is reported. All the new compounds were characterized using elemental analyses (C, H, N), ESI-MS, IR, 1 H and 13 C NMR techniques and X-ray diffraction analysis. The nature and energies of intermolecular non-covalent interactions, which are responsible for the supramolecular polymerization, were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader's theory (QTAIM method). While chloro-complexes, which feature a relatively stronger C (sp 2 )–H … Hal hydrogen bonding, form supramolecular polymers, the iodo-derivative does not self-assemble into 1-D chains due to the dominance of other crystal packing forces over the potential H⋯I contacts. Thus, the C (sp 2 )–H … Hal HB can dictate a packing preference in the solid state and serve as a useful tool for supramolecular engineers.
KW - Hydrogen bond
KW - Non-covalent interactions
KW - Palladium
KW - Platinum
KW - Schiff-base complexes
KW - Supramolecular polymers
KW - VAN
KW - VOLUMES
KW - CH
KW - MECHANISMS
KW - IDENTIFICATION
KW - ENERGIES
UR - http://www.scopus.com/inward/record.url?scp=85062266886&partnerID=8YFLogxK
U2 - 10.1016/j.jorganchem.2019.01.023
DO - 10.1016/j.jorganchem.2019.01.023
M3 - Article
AN - SCOPUS:85062266886
VL - 886
SP - 71
EP - 75
JO - Journal of Organometallic Chemistry
JF - Journal of Organometallic Chemistry
SN - 0022-328X
ER -
ID: 39455922