Author
Vladimir K. Cherkasov
Other affiliations: N. I. Lobachevsky State University of Nizhny Novgorod
Bio: Vladimir K. Cherkasov is an academic researcher from Russian Academy of Sciences. The author has contributed to research in topics: Electron paramagnetic resonance & Ligand. The author has an hindex of 29, co-authored 315 publications receiving 3999 citations. Previous affiliations of Vladimir K. Cherkasov include N. I. Lobachevsky State University of Nizhny Novgorod.
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TL;DR: In this paper, a comprehensive review of homoleptic transition metal complexes of bulky bidentate N-aryl-o-iminoquinonato type ligands involving comparison with o-quinonato analogues is presented.
299 citations
TL;DR: A Dy(III)-based dinuclear complex was synthesised and characterised by X-ray diffraction on single crystal and magnetic investigations, revealing a single molecule magnet behaviour for 1 which can be described as two single-ion magnets in a D(3h) local symmetry bridged by an acceptor-donor-acceptor ligand.
104 citations
Journal Article•
92 citations
TL;DR: Complexes 2 and 3 were characterized by elemental analyses, UV/Vis, IR, and ESR spectroscopy, as well as by single crystal X-ray diffraction.
Abstract: The reduction of benzophenone with the magnesium complex [(2,6-iPr2C6H3-bian)Mg(thf)3] (1), containing the 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene dianion, affords the pinacolato complex [(2,6-iPr2C6H3-bian)Mg(thf)]2[μ-O2C2Ph4]⋅(C6H6)4 (2). The reaction of 1 with 9(10H)-anthracenone yields the 9-anthracenolato complex [(2,6-iPr2C6H3-bian)Mg(OC14H9)(thf)2] (3). Complexes 2 and 3 were characterized by elemental analyses, UV/Vis, IR, and ESR spectroscopy, as well as by single crystal X-ray diffraction. Complex 2 dissociates in solution with splitting of the bridging pinacolato unit, forming the biradical diimino/ketyl complex [(2,6-iPr2C6H3-bian)Mg(thf)(OCPh2)].
87 citations
TL;DR: In this article, the reaction of dpp-BIAN with an excess amount of magnesium and 0.5 molar equivalents of I2 in Et2O gives (dpp-IAN)MgI(Et2O)n, which then reacts in situ with (Me3Si)2NK to produce (dpl-IAN).
Abstract: Reaction of (dpp-BIAN)Mg(THF)3 (1) {dpp-BIAN = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene} with one molar equivalent of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) proceeds with oxidation of the dpp-BIAN dianion in 1 to the radical-anion and affords the (dpp-BIAN)Mg(TEMPO)(thf) (2) complex. The reaction of dpp-BIAN with an excess amount of magnesium and 0.5 molar equivalents of I2 in Et2O gives (dpp-BIAN)MgI(Et2O)n, which then reacts in situ with (Me3Si)2NK to produce (dpp-BIAN)Mg[N(SiMe3)2](Et2O) (3). Solvent-free magnesium amide (dpp-BIAN)Mg[N(SiMe3)2] (4) was synthesized by treating equimolar amounts of MgI2, dpp-BIAN, and sodium in toluene at reflux followed by treatment with (Me3Si)2NK. Deprotonation of diphenylacetonitrile with [(dpp-BIAN)Mg(μ-Me)]2 (5) produces keteniminate complex (dpp-BIAN)Mg(N=C=CPh2)(Et2O) (6). Complexes 2–4 and 6 were characterized by ESR and IR spectroscopy; their molecular structures were determined by single-crystal X-ray analysis. Compounds 1–3 catalyze the ring-opening polymerization of L- and rac-lactides to give high molecular weight isotactic and stereoblock polylactides correspondingly.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
80 citations
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2,206 citations
01 Feb 1995
TL;DR: In this paper, the unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio using DFT, MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set.
Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg
1,652 citations
1,013 citations
965 citations
TL;DR: Most of the Review is devoted to the properties of valence-tautomeric compounds, molecular magnets, and spin-crossover complexes, which could find future application in memory devices or optical switches.
Abstract: The magnetic properties of many magnetic materials can be controlled by external stimuli. The principal focus here is on the thermal, photochemical, electrochemical, and chemical control of phase transitions that involve changes in magnetization. The molecular compounds described herein range from metal complexes, through pure organic compounds to composite materials. Most of the Review is devoted to the properties of valence-tautomeric compounds, molecular magnets, and spin-crossover complexes, which could find future application in memory devices or optical switches.
942 citations