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1.
Two new CuI coordination polymers, [CuI(TATP) (CN)] n (1) and [CuI(bpy)(SCN)] n (2) (TATP = 1,4,8,9-tetranitrogen-trisphene, bpy = 2,2′-bipyiridine), have been synthesized under hydrothermal conditions and structurally characterized by elemental analysis, IR, and X-ray crystallography. In 1 and 2, the metal centers are linked by bridging CN/SCN to form one-dimensional chains in the crystals and are stabilized by interchain π–π stacking interaction.  相似文献   

2.
Two multiple-layer heterometallic MnII–AgI coordination polymers, {MnII(ampyz)(H2O)[Ag2I(CN)3][AgI(CN)2]·ampyz} n (1) and {[MnII(benzim)2[AgI(CN)2]2][(benzim)AgI(CN)]·H2O} n (2) where ampyz = 2-aminopyrazine and benzim = benzimidazole, have been prepared and structurally characterized. Compound 1 reveals a multiple-layer two-dimensional network with strong hexanuclear argentophilic interactions leading to an infinite three-dimensional framework. Compound 2 has an unprecedented double-layer two-dimensional squared grid-type network with (4,4) topology through AgI···AgI and π–π interactions between two adjacent squared layers. These double-layer networks of 2 are linked to others by π–π interactions, leading to a three-dimensional framework.  相似文献   

3.
The problem of existence of η5-π-complexes of unsubstituted fullereneI h -C60 and its cyclopentadienyl type derivative C60H5 . is discussed.Ab initio MO LCAO SCF calculations of hypothetical sandwich systems η5-π-C60H5XCp (X=Fe (1a), Si (1b)), the cationic complex C60FeCp+ of unsubstituted C60, and the C60H5 . radical were performed in the STO-3G and 3-21G basis sets. In the1a, 1b, and C60H5 . systems, hydrogen atoms are attached to carbon atoms of fullerenei h -C60 at α-positions relative to the same pentagonal face (pent *). In η5-complexes, XCp species are also coordinated to this face. According to calculations in the 3-21G basis set, the Fe-pent * bond energy in complex1a is much higher than those of similar bonds in1b and in the η5-π-C60FECp+ cation (117 kcal mol−1 vs. 37 and 64 kcal mol−1, respectively) and is 7 kcal mol−1 higher than the Fe−Cp bond energy in the classical sandwich system FeCp2. The Fe…C pent* and Fe…CCp distances in complex1a are slightly shorter than the Fe…C distance in the ferrocene molecule. The spin populations in the C60H5 . radical are almost completely localized on the atoms of thepent * face, which must favor the formation of η5-π-complexes of this radical. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1657–1662, September, 1999.  相似文献   

4.
[Co(CN)2(H3Cdta)] · 2H2O (I) and Na2[Co(CN)(Cdta)] · 3H2O (II) (Cdta4− is the 1,2-cyclohexanediaminetetraacetate) were synthesized. In I, the two cyanide ions and the Cdta nitrogen atoms are located in the equatorial plane, the carboxyl groups connected to different N atoms are in axial positions; in addition one of them, like two other uncoordinated carboxyl groups, is protonated. In II, Cdta is a pentadentate ligand coordinated in the cis-equatorial mode. UV excitation of the dicyano complexes at the ligand-to-metal charge transfer band gives organic derivatives of cobalt(III) stable enough for chromatographic isolation. Photolysis of II in neutral medium gives aqua(cyclohexanediaminetriacetato)cobalt (III) complexes as the final products.  相似文献   

5.
The crystal structure of the complex (N2H5)[Ni(NH2NHCOO)3] · H2O (I) was refined using X-ray diffraction data (obtained on an Apex X8 diffractometer, MoK α radiation, 1830 F hkl , R = 0.0182). The structure is built of complex anions [Ni(NH2NHCOO)3], cations N2H5+, and water molecules and is characterized by strong hydrogen bonds N-H…O, O-H…O, and N-H…N. The N3O3 coordination polyhedron around a Ni atom is a slightly distorted octahedron. The thermal decomposition of complex I was studied in high-boiling organic liquids. The feasibility of preparing non-pyrophoric nickel powders having particle sizes of up to 20 nm is shown.  相似文献   

6.
A new complex [Pb(Crypt-222)(H2O)2]+ · 2(iso-PrO)2P(S)NC(S)Ph (I) was prepared and studied by X-ray diffraction: space group C2/c, a = 16.170 ?, b = 10.405 ?, c = 34.116 ?, β = 103.32°, Z = 4. The monoclinic structure of I was solved by direct methods and refined by full-matrix least-squares calculation in the anisotropic approximation to R = 0.098 for 6414 independent reflections (CAD4 automated diffractometer, λMoK α). In structure I, the host-guest [Pb(Crypt-222)(H2O)2]+ cation is located on a twofold crystallographic axis. The Pb2+ cation is coordinated by all eight heteroatoms (6O + 2N) of the cryptand ligand and by two O atoms of water molecules. The Pb2+ coordination polyhedron (CN = 10) is a highly distorted two-base-centered dicapped trigonal prism. The crystal structure of I contains one independent thiophosphoramidate anion with deprotonated nitrogen. In crystal I, the complex cation is connected to two thiophosphoramidate anions by ion-ion hydrogen bonds, O(w)-H...S.  相似文献   

7.
In the compound [Ni(Bptc)2(Bimb)2(H2O)2] (I), where H4Bptc is 3,3′,4,4′-biphenyltetracarboxylic acid; Bimb is 4,4′-bis(1-imidazolyl)biphenyl), Ni(II) has a distorted octahedral coordination geometry, which was bonded with two N atoms from two Bimb ligands, two O atoms from two H2Bptc2− ligands and two water O atoms. The crystal structure of compound I is stabilized by the π-π-stacking and hydrogen bonds interaction.  相似文献   

8.

Abstract  

New phosphoramidates with formula 3-NC5H4C(O)NHP(O)XY (X=Y=Cl (1), X=Y=NH–C(CH3)3 (2a,2b), X=Y=N(C4H9)2 (3), X=Cl, Y=N(C2H5)2 (4) were synthesized and characterized by IR, 1H-, 13C-, 31P-NMR spectroscopy and CHN elemental analysis. Surprisingly, the reaction of compound 2a with LaCl3, 7H2O in 3:1 M ratio leads to a polymorph of this compound (2b). NMR spectra indicate that 2 J(PNHamide) in 2b (7.0 Hz) is very much greater than in 2a (4.1 Hz), while δ(31P) values are identical for both of them. In IR spectra, υ(P=O) is weaker but υ(C=O) is stronger in 2a than in 2b. The structures of 2a, 2b were determined by X-ray crystallography. These compounds form centrosymmetric dimers via two intermolecular P=O……H–N hydrogen bonds. Strong intermolecular N–H…N, N–H…O and weak C–H…O hydrogen bonds lead to a three-dimensional polymeric cluster in the 2a while intermolecular strong N–H……N and weak C–H……O hydrogen bonds form a two-dimensional polymeric chain in 2b.  相似文献   

9.
Uranyl complexes with acetylenedicarboxylic acid, K(H5O2)[UO2L2H2O] · 2H2O (I) and Cs2[UO2L2H2O] · 2H2O (II), L2− = C4O 4 2− were prepared for the first time. The composition and structure of the complexes were determined by X-ray diffraction. The crystal data are as follows: a = 16.254(12) ?, b = 13.508(8) ?, c = 7.683(6) ?, β = 90.91(7)°, space group C2/c, V = 1687(2) ?3 (I); a = 7.0745(10), b = 18.4246(10), c = 13.1383(10) ?, space group Abm2, V = 1712.5(3) ?3 (II). The structures of I and II are based on [UO2L2H2O] n 2− anionic chains stretched along the [101] direction (I) or [010] direction (II). In I and II, the uranium coordination polyhedron is a pentagonal bipyramid in which the equatorial environment of the uranyl ions is formed by the oxygen atoms of the four L2− anions and the water molecule. The L2− anions in I and II are bidentate bridging ligands connecting two uranium atoms that are next to each other in the anionic chain; their coordination capacity is equal to 2. In I, the K+ and H5O 2 + cations are outer-sphere species. The latter form hydrogen bonds combining the anionic chains shifted by translation b with respect to each other. The [UO2L2H2O] n 2− chains in I are surrounded by the potassium and oxonium cations; in II, these are combined by hydrogen bonds into anionic layers between which Cs+ cations are arranged. The IR spectrum of compound II was measured and interpreted. Original Russian Text ? I.A. Charushnikova, A.M. Fedoseev, N.A. Budantseva, I.N. Polyakova, Ph. Moisy, 2007, published in Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 1, pp. 63–69.  相似文献   

10.
Mixed-ligand complex compounds [Pb(Phen)(i-Bu2PS2)]2 (I) and [Pb(2,2′-Bipy)(i-Bu2PS2)]2 (II) were synthesized. Their structures were determined from X-ray diffraction data (X8 APEX diffractometer, MoK α radiation, 6392 Fhkl , R = 0.0233 for I and 3937 F hkl , R = 0.0252 for II). Crystals I are triclinic: a = 10.2662(3) Å, b = 12.3037(2) Å, c = 14.8444(4) Å; α = 92.054(1)°, β = 103.473(1)°, γ = 105.561(1)°, V = 1746.89(8) Å3, Z = 2, ρcalc = 1.532 g/cm3, space group P . Crystals II are monoclinic: a = 9.3462(3) Å, b = 26.3310(12) Å, c = 28.5345(13) Å; β = 96.436(1)°, V = 6977.9(5) Å3, Z = 8, ρcalc = 1.489 g/cm3, space group P21/n. The structures are built from mononuclear molecules. In both structures, the intermolecular contacts between the Pb and S atoms of the neighboring mononuclear molecules form supramolecular assemblies involving two molecules. The environment of the Pb atoms in the assemblies is a pentagonal bipyramid, N2S4+1. The assemblies are joined into ribbons by π-π interactions of the Phen rings in I and C…C short contacts between the pyridine rings in II. Original Russian Text Copyright ? 2008 by R. F. Klevtsova, E. A. Sankova, T. E. Kokina, L. A. Glinskaya, and S. V. Larionov __________ Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 1, pp. 123–131, January–February, 2008.  相似文献   

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