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1.
M. A. Il’in E. V. Kabin V. A. Emel’yanov I. A. Baidina V. A. Vorob’yov 《Journal of Structural Chemistry》2009,50(2):328-334
Methods for the synthesis of trans-diammino complexes [RuNO(NH3)2(NO2)2(OH)] (I) and [RuNO(NH3)2(H2O)(NO3)2](NO3)·H2O (II) are suggested. The compounds were studied by IR spectroscopy and X-ray phase and X-ray structural analyses. Crystal data:
space group P-1; a = 6.2328(2) ?, b = 11.0488(3) ?, c = 11.0981(4) ?, α = 71.942(1)°, β = 83.291(1)°, γ = 86.877(1)° (I); space group P21; a = 6.6290(2) ?, b = 13.4389(5) ?, c = 7.0180(2) ?, β 114.281(1)° (II). Complex II readily lost some part of crystal water on storage in open air.
Original Russian Text Copyright ? 2009 by M. A. Il’in, E. V. Kabin, V. A. Emel’yanov, I. A. Baidina, and V. A. Vorob’yov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 50, No. 2, pp. 341–348, March–April, 2009. 相似文献
2.
Yang Zhou Yanqiang Li Qingran Ding Youchao Liu Yangxin Chen Xitao Liu Xiaoying Huang Lina Li Sangen Zhao Junhua Luo 《中国化学快报》2021,32(1):263-265
Two fluoride sulfates,K2Mn3(SO4)3F2·4H2O(Ⅰ) and Rb2Mn3(SO4)3F2·2H2O (Ⅱ) are obtained by water solution method.Single-crystal X-ray diffraction analysis indicated that they crystallize in space groups of Cmc21.Their structures feature a pseudo-KTP structure consisting of interconnecting[Mn3(SO4)3F2(H2O)2]∞ layers,which are further packing along the a axis with alkali metal cations balancing the charges.The structure relationships between the two compounds are discussed.Secondharmonic generation measurements manifest that Ⅰ and Ⅱ have similar second-harmonic generation responses of about 0.2 and 0.25 times that of KH2PO4. 相似文献
3.
S. A. Adonin A. V. Virovets M. N. Sokolov V. P. Fedin 《Russian Journal of Coordination Chemistry》2010,36(10):734-738
New cluster complexes [W3S4(Acac)3(PPh3)3]PF6 · 0.5CHCl3 (Acac = CH3C(O)CHC(O)CH3) (I) and [W3S4(Hfac)3(PPh3)2Br] · 2CHCl3 (Hfac = CF3C(O)CHC(O)CF3) (II) were synthesized. Their molecular and crystal structures were determined by X-ray diffraction. The cis-cis type of coordination of acetylacetonate and hexafluoroacetylacetonate ligands in I and II, respectively, was established, and the PPh3 ligands were found in the trans-positions with respect to the “capping” sulfide ligand (μ3-S). 相似文献
4.
5.
S. A. Adonin P. A. Abramov A. V. Virovets M. N. Sokolov V. P. Fedin 《Russian Journal of Coordination Chemistry》2010,36(9):637-643
New cluster complexes [Mo3S4(Dppen)3Cl3]PF6 · 1.5CH2Cl2 (Dppen = cis-Ph2PCH=CHPPh2) (I) and [W3S4(Dppe)3Br3]2(ZnBr4)2 · 5.5CH3CN (Dppe = Ph2PCH2CH2PPh2) (II) were synthesized. Their molecular and crystal structures were determined by X-ray diffraction. Diphoshine ligands in the
complexes I and II are coordinated in the bidentate mode, providing an arrangement of three chelate rings, giving rise to chirality. 相似文献
6.
M. Shanshal H. Al-Ghatta S. Flamerz Tahir 《Reaction Kinetics and Catalysis Letters》1991,43(2):335-341
The ammoxidation of 3- and 4-picolines has been studied over V2O5–SnO2/–Al2O3 catalysts prepared by surface impregnation technique. Best results were obtained for the generation of cyanopyridines in the temperature range 400–450°C and sub-stoichiometric value with respect to O2. Catalysts that were calcined above 700°C showed no activity.
3- 4- V2O5–SnO2/–Al2O3, . 400–450°C O2. , 700 K, .相似文献
7.
A. L. Gushchin M. N. Sokolov D. Yu. Naumov V. P. Fedin 《Journal of Structural Chemistry》2008,49(4):748-752
By the reaction of [Mo3S4(C2O4)3(H2O)3]2− with PdCl2 and NH4H2PO2 as a reducing agent, followed by the addition of PPh3, a new oxalate cuboidal cluster complex [Mo3(PdPPh3)S4(C2O4)3(H2O)3]2− is obtained. It was isolated and structurally characterized as K2[Mo3(PdPPh3)S4(C2O4)3(H2O)3]·0.5H2O.
Original Russian Text Copyright ? 2008 by A. L. Gushchin, M. N. Sokolov, D. Yu. Naumov, and V. P. Fedin
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Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 4, pp. 775–778, May–June, 2008. 相似文献
8.
The compounds [{VO(O2)2(NH3)}2{μ-Cu(NH3)4}] (1) and [Zn(NH3)4][VO(O2)2(NH3)]2 (2) were prepared and characterized by elemental analysis and infrared spectra. The single crystal X-ray study revealed that the structure of 1 consists of trinuclear complex molecules [(NH3)OV(O2)2{μ-Cu(NH3)4}(O2)2VO(NH3)] with a rare heterobimetalic peroxo bridge: copper(II)–peroxo ligand–vanadium(V). The structure of 2 is composed of tetraamminezinc(II) cations and ammineoxodiperoxovanadate(V) anions. In course of thermal decomposition of 1 performed up to 620 °C, the following intermediate products: [Cu(NH3)2(VO3)2], and subsequently a mixture of V2O5 with monoclinic β-Cu2V2O7, were gradually formed. The final product of decomposition is Cu(VO3)2. The thermal decomposition of 2 is a two-step process. In the first stage, [Zn(NH3)3(VO3)2] as supposed intermediate was formed, which transformed at higher temperatures by release of ammonia molecules to the monoclinic modification of Zn(VO3)2. 相似文献
9.
Stuart J. Mills Václav Pet?í?ek Regine Herbst-Imer 《Journal of solid state chemistry》2011,184(9):2322-2328
Yb2(SO4)3·3H2O, synthesised by hydrothermal methods at 220(2) °C, has been investigated by single crystal X-ray diffraction. Yb2(SO4)3·3H2O crystallises in space group Cmc21 and is isostructural with Lu2(SO4)3·3H2O. The crystal structure has been refined to R1=0.0145 for 3412 reflections [Fo>3σ(F)], and 0.0150 for all 3472 reflections. The structure of Yb2(SO4)3·3H2O is a complex framework of YbO6 octahedra, YbO8 and YbO5(H2O)3 polyhedra and SO4 tetrahedra. Thermal data shows that Yb2(SO4)3·3H2O decomposes between 120 and 190 °C to form β-Yb2(SO4)3. The structure of a twinned crystal of β-Yb2(SO4)3 was solved and refined using an amplimode refinement in R3c with an R1=0.0755 for 8944 reflections [Fo>3σ(F)], and 0.1483 for all 16,361 reflections. β-Yb2(SO4)3 has a unique structural topology based on a 3D network of pinwheels. 相似文献
10.
Bojan Kozlevčar Lea Glažar Gordana Pirc Zvonko Jagličić Amalija Golobič Primož Šegedin 《Polyhedron》2007
Two novel polynuclear complexes with methanoate anions and 3-hydroxypyridine ligands [Cu(μ-HCO2)2(3-pyOH)]n (1) and [Cu2(μ-HCO2)2(μ-3-pyOH)2(3-pyOH)2(HCO2)2]n (2), respectively, were synthesized and characterized. The central copper atom in 1 is surrounded by four methanoates and a 3-pyOH molecule, forming a square-pyramidal CuO3NO chromophore. All the methanoates are bidentate and serve as bridges between the adjacent copper ions via syn-anti and anti–anti coordination. The basal square coordination axes are formed by O(syn), N(3-pyOH) (1.974(2), 2.016(2) Å) and O(anti), O(anti) (1.945(2), 1.960(2) Å), while the third O(anti) (2.247(2) Å) is on the top of the pyramid. A ferromagnetic transition with an exchange constant 2J/kB = 9.2 cm−1 is found for 1 below 20 K. This interaction probably takes place through two syn-anti methanoates extended in a chain through the 2D structure. On the other hand, two monoatomic Cu–O–Cu intra-dinuclear asymmetric (1.986(2), 2.415(2) Å) bridges of two methanoates in [Cu2(HCO2)4(3-pyOH)4] (2) are present. An elongated distorted octahedral coordination sphere around each copper(II) atom is completed by an additional monodentate terminal methanoate (1.975(2) Å), two N-coordinated 3-pyOH (2.005(2), 2.002(2) Å) and the third weakly O-coordinated 3-pyOH (2.732(2) Å). Although a shorter Cu?Cu distance is noticed in 2 than in 1 (4.690(1) Å 1, 3.442(1) Å 2), much weaker ferromagnetism is found in 2. 相似文献
11.
多组态二级微扰理论计算CH3O2激发光谱以及CH3O2→CH3+O2解离反应 总被引:1,自引:0,他引:1
在Cs对称性和aug-cc-pVTZ基组水平下, 采用全活化空间自洽场方法(CASSCF)研究了CH3O2自由基基态及其阴阳离子的12个低激发态. 为了进一步考虑动态电子相关效应, 采用二级多组态微扰理论(CASPT2)获得更加精确的能量值. 所有计算得到的电子态都是价电子态, 而且所得绝热激发能和电子亲和势与实验值非常接近.在CASPT2//CASSCF理论水平下计算了CH3O2从2A"和2A'电子态的CH3O2→CH3+O2的解离反应的势能曲线(PECs). 优化得到的裂解产物的几何结构和能量与分别优化CH3和O2得到的结果进行比较, 从而确定裂解产物的电子态. 结果表明, 从2A"和2A'电子态的解离反应分别对应产物CH3(2A")+O2(3A")和CH3(2A")+O2(1A"). 相似文献
12.
A DTA study of thermal decomposition of (NH4)2[Ru(NO)Cl5] in helium atmosphere has been carried out, a synthetic procedure for preparation of the trans-diammine complex mer-[Ru(NO)(NH3)2Cl3] (I) with yield ∼70% has been developed. On re-crystallization of I from aqueous solution a trans-aquanitroso complex [Ru(NO)(NH3)2Cl2(H2O)]Cl·H2O (II) has been isolated. The structures of the compounds have been determined by single crystal X-ray diffraction: space group
Pbcn, a = 6.607(1) ? b = 11.255(2) ? c = 9.878(2) ? (I) and space group Ima2, a = 8.3032(3) ?, b = 8.0890(2) ?, c = 15.9192(5) ? II).
Original Russian Text Copyright ? 2008 by M. A. Il’in, V. A. Emel’yanov, and I. A. Baidina
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Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 6, pp. 1128–1136, November–December, 2008. 相似文献
13.
运用量子化学密度泛函理论UB3LYP/6-311+G*和高级电子相关校正的偶合簇(CCSD(T)/6-311+G*)方法,对CH3CH2,CH3CHCl和CH3CCl2自由基与NO2反应的机理和动力学进行了理论研究,得到了体系的势能面信息和可能的反应机理.根据计算得到的各反应热力学参数及反应能垒,采用传统过渡态理论计算了各反应在温度T=298 K和T=700 K时的速率常数.研究结果表明,该类反应均通过1个中间体和1个过渡态生成产物,产物分别为CH3CHO+HNO,CH3CHO+ClNO和CH3CClO+ClNO. 相似文献
14.
Treatment of Os(κ2-S2CNMe2)H(CO)(PPh3)2 with HSiMeCl2 or HSiCl3 gives in high yield Os(κ2-S2CNMe2)(SiMeCl2)(CO)(PPh3)2 (1) or Os(κ2-S2CNMe2)(SiCl3)(CO)(PPh3)2 (2), respectively. The crystal structures of both compounds have been determined and the Os-Si distances are 2.3672(10) Å for 1 and 2.3449(12) Å for 2. In solution, and under forcing conditions, both compounds are extraordinarily unreactive towards hydroxide ions. 相似文献
15.
[CH3NH3][NH3(CH2)6NH3]H3[P2Mo2W16O62]·H2O的水热合成与表征 总被引:4,自引:0,他引:4
首次合成了[CH3NH3][NH3(CH2)6NH3]H3[P2Mo2W16O62]·H2O,通过元素分析、红外光谱和X射线单晶衍射对合成产物进行了表征,并用TGA-DSC研究了化合物的热稳定性.晶体属单斜晶系,P21/m空间群,a=1.2596(3)nm,b=1.8715(4)nm,c=1.9816(4)nm,α=γ=90°,β=90.16(3)°,V=4.671(2)nm3,Z=2,Mr=4358.66,Dc=3.100g·cm-3,μ=19.978mm-1,F(000)=3792,R=0.0835,Rw=0.2026.结果表明,在晶体结构内形成了0.7364nm×0.8354nm的微孔. 相似文献
16.
Ce0.67Zr0.33O2对CH4燃烧催化剂Fe2O3/Al2O3的改性作用 总被引:1,自引:0,他引:1
固定n(Ce)/n(Zr)比为0.67/0.33,
用共沉淀法制得一系列CeO2-ZrO2-Al2O3固溶体. 采用这些固溶体作载体,
以Fe2O3为活性组分, 用浸渍法制备了一系列催化剂. BET结果显示,
将适量Ce0.67Zr0.33O2引入到Al2O3载体中有助于催化剂保持较高的比表面积.
TPR结果显示, 载体中引入适量的Ce0.67Zr0.33O2可以改善催化剂的氧化还原性能.
XRD结果表明, Fe2O3在CeO2-ZrO2-Al2O3载体上呈现出良好的分散状况,
老化前后催化剂的晶相结构基本无明显变化. 特别是当载体中m(Ce0.67Zr0.33O2)∶m(Al2O3)的值为1∶2时,
Fe2O3/CeO2-ZrO2-Al2O3催化剂在甲烷催化燃烧中显示出最佳的催化性能和抗高温老化性能. 相似文献
17.
研究了AlCl3(ZnCl2、MgCl2)对Sm2O3的氯化效果以及Sm2O3在LiCl-KCl-AlCl3(ZnCl2、MgCl2)熔盐体系中的电化学行为。在LiCl-KCl-Sm2O3熔盐中加入AlCl3(ZnCl2、MgCl2)后,ICP测量结果表明,AlCl3体系中Sm(Ⅲ)离子的浓度最高,并且在923 K时达到最大值;固相反应表明,AlCl3氯化Sm2O3生成SmCl3,而Sm2O3和ZnCl2(MgCl2)反应生成SmOCl。电化学行为表明,AlCl3体系中观察到了两种Al-Sm的合金峰,而ZnCl2体系中只观察到Zn-Sm金属间化合物的形成峰,MgCl2体系中没有形成合金。在-6.25 A·cm-2下,W电极上恒电流电解2 h获得了Al-Li-Sm合金,经XRD分析,合金为Al2Sm相。 相似文献
18.
研究了AlCl_3(ZnCl_2、MgCl_2)对Sm_2O_3的氯化效果以及Sm_2O_3在Li Cl-KCl-AlCl_3(ZnCl_2、MgCl_2)熔盐体系中的电化学行为。在Li Cl-KCl-Sm_2O_3熔盐中加入AlCl_3(ZnCl_2、MgCl_2)后,ICP测量结果表明,AlCl_3体系中Sm(Ⅲ)离子的浓度最高,并且在923 K时达到最大值;固相反应表明,AlCl_3氯化Sm_2O_3生成SmCl_3,而Sm_2O_3和ZnCl_2(MgCl_2)反应生成Sm OCl。电化学行为表明,AlCl_3体系中观察到了两种Al-Sm的合金峰,而ZnCl_2体系中只观察到Zn-Sm金属间化合物的形成峰,MgCl_2体系中没有形成合金。在-6.25 A·cm~(-2)下,W电极上恒电流电解2 h获得了Al-Li-Sm合金,经XRD分析,合金为Al_2Sm相。 相似文献
19.
固定n(Ce)/n(Zr)比为0.67/0.33,用共沉淀法制得一系列CeO2-ZrO2-Al2O3固溶体.采用这些固溶体作载体,以Fe2O3为活性组分,用浸渍法制备了一系列催化剂.BET结果显示,将适量Ce0.67Zr0.33O2引入到Al2O3载体中有助于催化剂保持较高的比表面积.TPR结果显示,载体中引入适量的Ce0.67Zr0.33O2可以改善催化剂的氧化还原性能.XRD结果表明,Fe2O3在CeO2-ZrO2-Al2O3载体上呈现出良好的分散状况,老化前后催化剂的晶相结构基本无明显变化.特别是当载体中m(Ce0.67Zr0.33O2)∶m(Al2O3)的值为1∶2时,Fe2O3/CeO2-ZrO2-Al2O3催化剂在甲烷催化燃烧中显示出最佳的催化性能和抗高温老化性能. 相似文献
20.
Yu. A. Mikhailenko E. V. Peresypkina A. V. Virovets T. G. Cherkasova 《Russian Journal of Inorganic Chemistry》2009,54(4):568-571
A new complex of ethanolamine with mixed-valence cobalt of the composition [CoIII(EtaH)2(Eta)][CoIII(EtaH)(Eta)2][CoIICl4]Cl · H2O, where EtaH is monoethanolamine NH2(CH2)2OH, is synthesized and structurally characterized. The crystals are monoclinic: a = 8.7451(2), b = 14.5009(4), c = 22.1663(5) ?, β = 91.3000(10)°, V = 2810.23(12) ?3, Z = 4, ρcalcd = 1.739 g/cm3, R = 0.0316 for 6531 reflections (F
o ≥ 4σ(F)). The structure contains two complex cations [Co(EtaH)2(Eta)]2+ and [Co(EtaH)(Eta)2]+ linked by short hydrogen bonds.
Original Russian Text ? Yu.A. Mikhailenko, E.V. Peresypkina, A.V. Virovets, T.G. Cherkasova, 2009, published in Zhurnal Neorganicheskoi
Khimii, 2009, Vol. 54, No. 4, pp. 623–626. 相似文献