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41.
Coropceanu E. Croitor L. Ciloci A. Clapco S. Labliuc S. Codreanu S. Fonari M. 《Russian Journal of Coordination Chemistry》2017,43(7):433-440
Russian Journal of Coordination Chemistry - The complexes [Zn(CH3COO)2(NioxH2)(DMF)(H2O)] (I), [Cd(CH3COO)2-(NioxH2)(DMF)(H2O)] (II), [Zn(CH3COO)2(NioxH2)(S-Nia)(H2O)] · DMF (III),... 相似文献
42.
Two new dimethylglyoximate complexes [Co(DmgH)2(Im)Cl] (I) and (ImH)[Co(DmgH2)2Cl2] (II), where DmgH? is the dimethylglyoxime residue and Im is the imidazole molecule, are synthesized. The composition and structure of the crystals are determined from the elemental analysis, IR spectra, and single crystal X-ray diffraction. Complex I is molecular, containing the Im molecule as a coordinated ligand; complex II is of the ionic type with (ImH)+ involved as an outer-sphere organic cation. The mode of component packing in the crystals mainly depends on the imidazole position in the compounds. 相似文献
43.
A. P. Rija É. B. Coropceanu O. A. Bologa S. T. Malinovskii M. Gdaniec 《Journal of Structural Chemistry》2007,48(6):1132-1137
Two new coordination compounds, trans-octahedral aniline-containing Co(III) dioximates [Co(DH)2(Anil)2]2[ZrF6]·2H2O (I) and [Co(NioxH)2(Anil)2]2[ZrF6]·3H2O (II), where DH? is the dimethylglyoxime monoanion, and NioxH? is the 1,2-cyclohexanedionedioxime monoanion, were synthesized, and their crystal structures were studied by XRD. In I, two centrosymmetric, crystallographically independent [Co(DH)2(Anil)2]+ complex cations (A and B) are linked by a system of hydrogen bonds, the [ZrF6]2? centrosymmetric anion, and the crystallization water molecules into a three-dimensional framework. The coordination polyhedron of the Co3+ atom in I and II is a slightly distorted N6 octahedron formed by four nitrogen atoms of the two dioxime residues and two amine nitrogen atoms of the aniline fragment. The deviation of the cobalt atom from the plane of the metallocycle in II is up to 0.012 Å. The [ZrF6]2? outer-spheric anions and crystallization water molecules dominate in the crystal structures. 相似文献
44.
É. B. Coropceanu A. P. Rija V. N. Shafranskii O. A. Bologa M. Gdaniec S. T. Malinovskii 《Journal of Structural Chemistry》2007,48(6):1110-1117
The complexes [Co(DH)2(Sam)2]2[ZrF6]·5H2O (I) and [Co(DH)2(Sam)2][BF4]·H2O (II), where DH? is the dimethylglyoxime monoanion, and Sam is para-aminobenzenesulfamide (sulfanilamide, white streptocid), were synthesized, and their crystal structures were determined by X-ray diffraction analysis. The coordination polyhedron of the Co3+ atom is an N6 octahedron formed by four nitrogen atoms of the two dimethylglyoxime residues and two nitrogen atoms of the Sam fragments. The latter are realized in virtually parallel orientation relative to the polyhedron of the metal atom and its equatorial plane; the average value of the dihedral angles is 26.8(1)°, and there is π-π interaction between the benzene rings of the Sam fragments and the π delocalized equatorial metallocycle. The deviation of the cobalt atom from the four-angle plane is up to 0.009(1) Å. The (Co-N)DH? and (Co-N)Sam distances in the [Co(DH)2(Sam)2]+ complex cations vary from 1.892(2) Å to 1.907(3) Å and from 2.000(2) Å to 2.012(2) Å, respectively. The [ZrF6]2? and [BF4]? complex anions play the major role in crystal formation; they produce a substantial effect on the formation of a complex system of hydrogen bonds. 相似文献
45.
E. B. Coropceanu A. P. Rija V. I. Lozan O. A. Bologa A. A. Boldisor I. I. Bulhac V. Ch. Kravtsov P. N. Bourosh 《Russian Journal of Coordination Chemistry》2012,38(8):545-551
The complexes [Co(DioxH)2L2][SbF6] · nH2O, where DioxH is dimethylglyoxime monoanion (DioxH?) or 1,2-cyclohexanedione dioxime (NioxH?), L is aniline (An) or triphenylphosphine (PPh3), were isolated from the CoX2 · nH2O-NaSbF6-DioxH2-L system (X = F or CH3COO) in aqueous methanol. The complexes were studied by UV, IR, and NMR spectroscopy and by X-ray diffraction. The crystal structure of [Co(DH)2(An)2][SbF6] · H2O (I) and [Co(NioxH)2(PPh3)2][SbF6] (II) is stabilized by the electrostatic interactions between the Co(III) complex cations and outer-sphere fluorine-containing anions and by hydrogen bonds between structural units. 相似文献
46.
E. Melnic P. Bourosh A. Rija J. Lipkowski O. A. Bologa I. Bulhac E. Coropceanu V. N. Shafranski 《Russian Journal of Coordination Chemistry》2012,38(9):623-633
A number of new Co(III) dimethylglyoximates containing N-pyrimidinylsulfanilamides were obtained. These complexes of the general formula [Co(N3)(DH)2L] (I?CV) (where DH is the dimethylglyoxime monoanion and L are N-pyrimidinylsulfanilamides NH2-C6H4-SO2-NH-R with different substituents R) are expected to have antibacterial properties. Their structures were examined by IR, electronic absorption, and NMR spectroscopy and X-ray diffraction. They were classified among cobalt(III) trans dioximates. In all the complexes obtained, the cobalt atom coordinates to four N atoms of two dimethylglyoxime residues. The octahedral environment of the metal atom is completed with the amino N atom of the neutral molecule L and the N atom of the azide anion. In the crystal structures, complexes I?CV are united through intermolecular hydrogen bonds N-H??O, N-H??N, and O-H??O, in which the groups ?NH2 and =NH of the ligand L and water molecules (for I, IV, and V) serve as proton donors. 相似文献
47.
48.
Hong Li Yiqun Duan Pavel Paramonov Veaceslav Coropceanu Jean-Luc Brdas 《Journal of Electron Spectroscopy and Related Phenomena》2009,174(1-3):70
We report the results of a density-functional theory study on a series of metal/organic interfaces consisting of self-assembled monolayers (SAMs) of methylthiol and mono-, di-, and tri-fluoromethylthiols, chemisorbed on the Au(1 1 1) surface. The effects of coverage density and extent of fluorination are examined. Both are found to strongly impact: (i) the component of the SAM dipole moment perpendicular to the surface; (ii) the SAM-induced work-function modification of the gold surface; and (iii) the energy-level alignments of both the highest occupied molecular levels and the molecular-signature states of the SAM with respect to the Fermi level of gold and, as a result, the ionization potential of the SAM when deposited on gold. Saturations of the effects are observed at the higher levels of fluorination and coverage. 相似文献
49.
A. Rija E. Coropceanu O. Bologa V. Lozan J. Lipkowski I. Bulhac P. Bourosh 《Russian Journal of Inorganic Chemistry》2013,58(4):440-449
The new Co(III) dioximates [Co(DH2)(D)(Thio)2]2[TiF6] ·2DMF (I), [Co(NioxH)2(Thio)2]2[TiF6] · 2.25H2O (II), and [Co(DpgH)2(Thio)2]2[TiF6] · 4DMF · 1.5H2O (III) have been synthesized and studied (DH2 and D are, respectively, the dimethylglyoxime molecule and doubly charged anion; NioxH and DpgH are singly charged anions of 1,2-cyclohexanedione dioxime and diphenylglyoxime, respectively; Thio is thiourea; DMF is dimethylformamide). The composition and structure of the complexes have been studies by IR, UV, and NMR spectroscopy. The crystal structures have been determined by X-ray crystallography. The hydrogen bonds in the structures are formed by fluorine atoms of the [TiF6]2? anion with Co(III) complex cations and solvent molecules of crystallization. The amino groups of coordinated thiourea molecules are also involved in the hydrogen bond system, which is responsible for their different arrangement with respect to the equatorial planes of the Co(III) complex cations. 相似文献
50.
Dinolfo PH Coropceanu V Brédas JL Hupp JT 《Journal of the American Chemical Society》2006,128(39):12592-12593
The ligand-centered mixed-valence (LCMV) properties of two supramolecular complexes are reported: triangular prisms of the form ([Re(CO)3]2X)3-mu,mu',mu' '-[tPyTz]2, where X is 2,2'-bisbenzimidazolate (1) or a pair of benzylthiols (2), and tPyTz is tri-(4-pyridyl)-1,3,5-triazine. Cyclic voltammetry demonstrates that the redox-accessible bridging ligands, tPyTz, are reduced in sequential, one-electron reactions. The singly reduced prisms, which represent an unusual type of mixed-valence compound in which the tPyTz ligands themselves are the redox centers, show intense, broad intervalance transfer (IT) bands in the NIR, consistent with highly coupled MV species. Electroabsorption (Stark spectroscopy) measurements reveal small dipole moment changes associated with intervalence excitation (|Deltamu12| = 0.30 +/- 0.02 eA for 1- and 0.48 +/- 0.02 eA for 2-), as well as noncollinear transition dipole moment (mu12) and dipole moment change vectors (zeta approximately 45 degrees ). DFT electronic structure calculations support this unusual result, along with a through-space electronic interaction mechanism. The neutral complexes (D3h symmetry) possess doubly degenerate, but spatially distinct, LUMO and LUMO+ orbitals. The orbital degeneracy of the tPyTz ligands is lifted in the MV forms, resulting in nonsymmetrical charge redistribution within the molecules upon on optical IT. 相似文献