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1.
《Polyhedron》1999,18(26):3533-3544
[Tris(1,3-dithiole-2-thione-4,5-dithiolato)stannate]2−, [Q]2[Sn(C3S5)3], [tris(1,3-dithiole-2-one-4,5-dithiolato)stannate]2−, [Q]2[Sn(C3S4O)3], and [tris(1,3-dithiole-2-thione-4,5-diselenolato)stannate]2− [Q]2[Sn(C3S3Se2)3], complexes, have been synthesised and characterised. Crystal structure determinations of [Q]2[Sn(C3S5)3] (Q=1,4-dimethylpyridinium, monoclinic and orthorhombic forms; NMe4, NEt4, and PPh4) and [NEt4]2[Sn(C3S4O)3] revealed variations in the overall dianion structures. The geometry about tin in each case is essentially octahedral with the chelate bite angles in the range 80.7(5)–87.45(4)°: the range of Sn–S distances is 2.5207(18)–2.571(17) Å. A statistical analysis, carried out on the crystal structure data for the six complexes, indicated that the most critical factors in controlling the overall shape of the dianion were the distances of the Sn atom from the dithiolate ligand planes [Sn–OOP]. Interanionic S⋯S interactions, within the sum of the van der Waals’ radii for two S atoms, are affected by the size of the cation, Q; the secondary connectivity is 3-dimensional for the smallest cations, Q=1,4-dimethylpyridinium and NMe4, in chains for the somewhat larger cation, NEt4 and is absent for the still larger, PPh4 cation. 相似文献
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E. A. Kovalenko M. Yu. Palatkina D. G. Samsonenko V. P. Fedin 《Russian Journal of Coordination Chemistry》2012,38(6):379-385
Complexes [Ca(H2O)2(Dmf@CB[6])(Bdc)] · DMF · 4H2O (I) and [Ca(H2O)3(Dmf@CB[6])]Cl2 · 2H2O (II) are synthesized by the heating (95°C) of a mixture of calcium chloride and cucurbit[6]uril (CB[6]) in a mixture of dimethylformamide (DMF) and water with the addition of terephthalic acid (H2Bdc) in the case of complex I or triethylamine for complex II. The compounds are characterized by X-ray diffraction analysis, IR spectroscopy, and thermogravimetric and elemental analyses. The luminescence spectra are also recorded. According to the X-ray diffraction data, the calcium atom is coordinated by the oxygen atoms of the cucurbit[6]uril molecule, water molecules, and terephthalate anion (for I). The internal cavity of the cavitand is occupied by DMF. 相似文献
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《Journal of Coordination Chemistry》2012,65(6):917-925
Two new uranyl β-diketonate complexes [UO2(DBM)2(DEDPU)] (1) and [UO2(PMBP)2(DEDPU)](CH3C6H5)0.5 (2), (HDBM?=?dibenzoylmethane, HPMBP?=?1-phenyl-3-methyl-4-benzoyl-5-pyrazolone, DEDPU?=?N,N′-diethyl-N,N′-diphenylurea) were synthesized and characterized. The coordination geometries of the uranyl atoms in 1 and 2 are distorted pentagonal bipyramidal, coordinated by one oxygen atom of DBDPU molecule and four oxygen atoms of two chelating DBM molecules in 1 and PMBP molecules in 2. 相似文献
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《结构化学》1992,(5)
<正> [(C2H5)4N]2[Mo2o2S2(S2)2], Mr = 676. 74, monoclinic, P21/c, a = 13.510(2), b = 14.373(2), c=14. 777(3)(?), β = 97.53(2)°, V = 2844.7(9) (?)3, Z = 4, Dc= 1. 58g/cm3, μ(MoKα) = 13.0cm-1, F(000) = 1384, R =0. 033 for 1803 observed reflections. The structure contains discrete [Mo2O2S2(S2)2]2- anions and Et4N+ cations. The two oxygen atoms bonded to the Mo atoms are in cis-form with respect to the Mo2S2 bridging unit, with an average Mo- O distance of 1. 678 (?), The Mo…Mo distance is 2. 832(1)(?). 相似文献
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Tristram Chivers Gabriele Schatte 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1):541-544
The reaction of tert.-butyl carbodiimide with one equivalent of LiNHtBu in tetrahydrofuran at-78 °C produces {Li[C(NtBu)2(HNtBu)]}2-(THF) (1), which is an eight-membered Li2C2N4 ring; the deprotonation of (1) with two equivalents of n-BuLi in tetrahydrofuran at -78 °C and recrystallisation of the product from n-pentane yielded the unsolvated dimer {Li2[C(NtBu)3]}2 (2), which adopts the structure of a distorted hexagonal prism. 相似文献
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《Journal of organometallic chemistry》1987,336(3):377-383
The complexes [WI2(CO)(NCMe)(η2)-RC2R)2] (R = Me and Ph) react in CH2Cl2 with an excess of carbon monoxide to give initially the acetonitrile substituted products [WI2(CO)2(η2-RC2R) 2]. For R= Me, the complex [WI2(CO)2(η2- MeC2Me)2] (1) was isolated and its structure determined by X-ray crystallography. However, for R = Ph, dimerisation occurs to give the iodide-bridged compound [W(μ-I)I(CO)(η2-PhC2Ph)2]2 (2) with loss of carbon monoxide. These reactions are reversible as 1 and 2 react with acetonitrile to give [WI2(CO)(NCMe)(η2-RC2R)2]. The 13C NMR spectra of I and 2 indicate that the two alkyne ligands donate a total of six electrons to the tungsten in these complexes. 相似文献
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本文报导了(Cp_2ErCl(THF)]_2的晶体结构,晶体属单斜晶系,P2_1/c空间群。晶胞参数为a=8.141(2),b=21.218(6),c=8.597(2),β=107.77(2)°;V=1414.1(6) ~3;Z=2,D_c=1.90g/cm~3,F(000)=780,μ_c=66.3cm~(-1)(MoK_a)。最终的偏离因子R=0.047,R_(to)=0.048。结构分析表明,该配合物是以两个氯离子与金属离子桥联的二聚体形式存在。四氢呋喃中的氧原子同金属离子键合,Er—O键长为2.490(6),两个环戊二烯中的所有碳原子同金属离子间的平均键长为2.649,Er-Cl=2.666(3),Er—Cl-a=2.797(3),Er-Er_a=4.42,Cl-Er-Cl_a键角为72.2°。 相似文献
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硫氰酸根的结构为N三C-S-,其两端的N原子和S原子分别有一对和三对孤对电子,因此,硫氰酸根可采用多种不同的配位模式与金属离子发生配位.硫氰酸根可作为单齿配体与一个金属离子配位,形成M-SCN或M-NCS的单核配合物,也可以作为桥联配体同时与两个、三个甚至四个金属离子配位形成多核配合物[1-3];另一方面,硫氰酸根是一个具有一定共轭性的偶极子,可传递磁相作用.因此,选择硫氰酸根作为桥联配体,将多个顺磁金属离子桥联形成一维、二维或三维结构的多核金属配合物分子,并研究它们的磁性已成为分子磁学的一个研究领域[4-6].本文仅报道标题配合物的合成与晶体结构. 相似文献
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L. B. Serezhkina E. V. Peresypkina M. O. Karasev A. V. Virovets V. N. Serezhkin 《Russian Journal of Inorganic Chemistry》2013,58(2):160-165
Cs3[UO2(CH3COO)3]2[UO2(CH3COO)(NCS)2(H2O)] (I) and Cs5[UO2(CH3COO)3]3[UO2 (NCS)4(H2O)] · 2H2O (II) have been synthesized via the reaction between uranyl acetate and cesium thiocyanate in aqueous solution. According to single-crystal X-ray diffraction data, both compounds crystallize in monoclinic system with the unit cell parameters a = 18.7036(5) Å, b = 16.7787(3) Å, c = 12.9636(3) Å, β = 92.532(1)°, space group C2/c, Z = 4, R = 0.0434 (I); and a = 21.7843(3) Å, b = 24.6436(5) Å, c = 13.1942(2) Å, β = 126.482(1)°, space group Cc, Z = 4, R = 0.0273 (II). Uranium-containing structural units of compound (I) are mononuclear [UO2(CH3COO)3]? and [UO2(CH3COO)(NCS)2(H2O)]? moieties, which correspond to the AB 3 01 and AB01M 3 1 crystallochemical groups (A = UO 2 2+ , B01 = CH3COO?, M1 = NCS? and H2O). The structure of compound II is built of [UO2(CH3COO)3]? and [UO2(NCS)4(H2O)]2? complexes, which belong to the AB 3 01 and AM 5 1 crystallochemical groups, respectively. Uranium-containing complexes in both structures are linked into a framework by hydrogen bonds and electrostatic interactions with cesium cations. The IR spectra of compounds I and II agree well with X-ray diffraction data. 相似文献
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Jan Janczak Ryszard Kubiak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):55-57
The title antimony(III) complex, [Sb(C32H16N8)]Cl or [SbPc]Cl (where Pc = C32H16N82−), has been obtained from the reaction of pure powdered antimony with 1,2-dicyanobenzene under a stream of ICl vapour. The asymmetric unit of this complex consists of an [SbPc]+ cation and a Cl− anion. The phthalocyaninate residue [SbPc]+ is not planar. The Sb atom lies 1.057 (3) Å from the plane defined by the four isoindole N atoms. A combination of ionic and donor–acceptor interactions links the [SbPc]Cl molecules to form centrosymmetric [(SbPc)Cl]2 pseudo-dimers in the crystal. The Sb—Cl distances in the pseudo-dimer are not equivalent [3.043 (2) and 3.201 (2) Å]. The pseudo-dimers are weakly linked through Cl⃛H—Cbenzo interactions to form a three-dimensional network. As a result of these interactions, the four Sn—Nisoindole bond lengths in the [SbPc]+ residue are not equivalent and the symmetry of the Sb—N core is only close to Cs. 相似文献
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合成了马来二氰基二硫烯镍(Ⅱ)配合物,[2-Na Phth Me Py NH2]2[Ni(mnt)2]([2-Na Phth Me Py NH2]+为1-(2'-萘苄基)-2-氨基吡啶鎓离子),并用元素分析,UV,IR,单晶X-射线衍射表征了其组成和结构。结果表明,配合物系单斜晶系,空间群P21/c,a=13.335(2),b=7.9458(12),c=17.480(3),α=90°,β=97.646(2)°,γ=90°,V=1835.7(5),Z=2。 相似文献
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The crossed molecular beam reactions of ground state methylidyne, CH(X(2)Π), with D2-acetylene, C(2)D(2)(X(1)Σ(g)(+)), and of D1-methylidyne, CD(X(2)Π), with acetylene, C(2)H(2)(X(1)Σ(g)(+)), were conducted under single collision conditions at a collision energy of 17 kJ mol(-1). Four competing reaction channels were identified in each system following atomic 'hydrogen' (H/D) and molecular 'hydrogen' (H(2)/D(2)/HD) losses. The reaction dynamics were found to be indirect via complex formation and were initiated by two barrierless-addition pathways of methylidyne/D1-methylidyne to one and to both carbon atoms of the D2-acetylene/acetylene reactant yielding HCCDCD/DCCHCH and c-C(3)D(2)H/c-C(3)H(2)D collision complexes, respectively. The latter decomposed via atomic hydrogen/deuterium ejection to form the thermodynamically most stable cyclopropenylidene species (c-C(3)H(2), c-C(3)D(2), c-C(3)DH). On the other hand, the HCCDCD/DCCHCH adducts underwent hydrogen/deuterium shifts to form the propargyl radicals (HDCCCD, D(2)CCCH; HDCCCH, H(2)CCCD) followed by molecular 'hydrogen' losses within the rotational plane of the decomposing complex yielding l-C(3)H/l-C(3)D. Quantitatively, our crossed beam studies suggest a dominating atomic compared to molecular 'hydrogen' loss with fractions of 81 ± 23% vs. 19 ± 10% for the CD/C(2)H(2) and 87 ± 30% vs. 13 ± 4% for the CH/C(2)D(2) systems. The role of these reactions in the formation of interstellar isomers of C(3)H(2) and C(3)H is also discussed. 相似文献
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Stéphanie M. Cornet Michael P. Redmond David Collison Clint A. Sharrad Madeleine Helliwell John Warren 《Comptes Rendus Chimie》2010,13(6-7):832-838
The [NpO2(DPPMO2)2Cl][NpO2Cl4] complex (where DPPMO2 = bis(diphenylphosphino)methanedioxide) contains the linear neptunyl group, {NpO2}2+, with two bidentate P=O donor ligands. Coordinating anion Cl? fills the fifth equatorial coordination site yielding a complex of general formula [NpO2(DPPMO2)2X]2[Y] (1) (where X = Cl? and Y = [NpO2Cl4]2?. Reaction between our newly prepared neptunium starting material [NpO2Cl2(thf)]n and phosphinimine ligand produced crystals of [Ph3PNH2]2[NpO2Cl4] (2). Compounds 1 and 2 have been structurally characterised. 相似文献
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《Journal of Coordination Chemistry》2012,65(5):789-795
Mercury(II) complexes of 1,10-phenanthroline (phen) and 2,2′-bipyridine (bipy), [Hg(phen)2(SCN)2] (1), [Hg(2,2′-bipy)2(SCN)2] (2) and [Hg(phen)2(NO3)2] (3) have been synthesized and characterized by elemental analysis, IR, 1H NMR and 13C NMR spectroscopy. The thermal stability of 1–3 were studied by thermal gravimetric (TG) and differential thermal analyses (DTA). The structure of 1 has been confirmed by X-ray crystallography. The complex is a monomer and the Hg atom has an unsymmetrical six-coordinate geometry, formed by four nitrogen atoms of the two phen ligands and two sulfur atoms of the two thiocyanate anions. Solid-state luminescent spectra of phen, 2,2′-bipy and 1–3 indicate emission with the maximum intensity at ca 467 nm upon excitation at 295 nm. 相似文献
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微量热法研究 [Cu(phen)2]~(2 )、[Cu(bpy)_2]~(2 )与DNA的作用 总被引:1,自引:0,他引:1
用微量热法对菲咯啉合铜( [Cu(phen)2]2+)和联吡啶合铜( [Cu(bpy)2]2+)与小牛胸腺 DNA的相互作用进行了研究,依据 McGhee-Von Hippel邻近排斥方程确定了结合反应的平衡常数 K、结合位点距离 n及热力学参数Δ rHm、Δ rGm和Δ rSm。结果表明这两种铜的配合物与 DNA之间均可形成稳定的三元配合物,且反应为熵驱动过程, DNA与这些配合物的键合过程中同时存在插入和静电作用两种模式,插入作用的强弱与金属配合物中配体的平面性质有关。 相似文献
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Crystals of bis[(2.2.2-cryptand)sodium] bis[aqua(isothiocyanato)(-isothiocyanato)sodium]: 2[Na(C18H36N2O6)]+ · [Na2(NCS)2(-NCS)2(H2O)2]2– (I) were synthesized and studied by X-ray diffraction analysis. The disordered structure of I (a = 12.715 Å, b = 10.458 Å, c = 21.767 Å, = 102.56°, space group P21/n) was solved by the direct method and refined by the full-matrix least-squares method in anisotropic approximation to R = 0.058 from 3896 independent reflections (CAD4 automated diffractometer, MoK
). The crystal consists of two complex ions [I1]+ and [I2]2– (molar ratio 2 : 1). The Na+ cation of the host–guest cation I1 is coordinated by all eight heteroatoms (6O + 2N) of the cryptand ligand. The coordination polyhedron of this Na+ cation is a distorted cube. The atoms of two groups (CH2–CH2 and CH2–O–CH2–CH2) in the cryptand ligand are disordered over two positions. The independent cation Na+ of the centrosymmetric binuclear complex anion I2 is coordinated by one bifurcated O atom of the disordered water molecule and by three N atoms of the SCN– ligands (including two bridging ligands). The coordination polyhedron of this Na+ caiotn is a distorted tetrahedron. The complex ions in the crystal structure of I are united by hydrogen bonds. 相似文献