共查询到20条相似文献,搜索用时 15 毫秒
1.
I. V. Korolkov S. A. Gromilov K. V. Yusenko I. A. Baidina S. V. Korenev 《Journal of Structural Chemistry》2005,46(6):1052-1059
The [Ir(NH3)5Cl]2[OsCl6]Cl2 binary complex salt has been prepared, and its structure was investigated by single crystal X-ray diffraction. Crystal data: a = 11.1901(13) Å, b = 7.9138(13) Å, c = 13.4384(18) Å; β = 99.640(3)°, V = 1190.0(2), space group C2/m, Z = 2, FW = 1099.47, d x = 3.068 g/cm3. Thermolysis products of [Ir(NH3)5Cl]2[OsCl6]Cl2, [Ir(NH3)5Cl][OsBr6], (NH4)2[OsCl6]x[IrCl6]1?x , and K2[OsCl6]x[IrCl6]1?x were studied by X-ray phase analysis; the unit cell parameters were refined, and the dependence of volume per atom (V/Z) on the composition of the Ir Os1?x solid solution has been plotted. 相似文献
2.
The present research work reports the study on crystal structure, vibrational spectroscopy and thermal analysis of organic-inorganic hybrid compound (C6H5(CH2)2NH3)2CdCl4. Single crystals of bis(phenethylammonium)tetrachlorocadmate (C6H5(CH2)2NH3)2CdCl4 (PEA–Cd) were obtained by diffusion at room temperature. This compound crystallizes in the orthorhombic space group C2cb with unit cell parameters a = 7.4444(2) Å, b = 38.8965(3) Å, c = 7.3737(2) Å and Z = 4. Single crystal structure has been solved and refined to R = 0.036 and wR = 0.092. The structure consists of an extended [CdCl4]2– network and two [C6H5(CH2)2NH3]+ cations to form a two-dimensional perovskite system. The infrared (IR) spectrum of the title compound was recorded at room temperature. Differential scanning calorimetry (DSC) was used to investigate the phase transition; this compound exhibits a reversible single solid-solid phase transition. 相似文献
3.
The subsolidus region of the Ag2MoO4-MgMoO4-Al2(MoO4)3 ternary salt system has been studied by X-ray phase analysis. The formation of new compounds Ag1 ? x Mg1 ? x Al1 + x (MoO4)3 (0 ≤ x ≤ 0.4) and AgMg3Al(MoO4)5 has been determined. The Ag1 ? x Mg1 ? x Al1 + x (MoO4)3 variable-composition phase is related to the NASICON type structure (space group R \(\bar 3\) c). AgMg3Al(MoO4)5 is isostructural to sodium magnesium indium molybdate of the same formula unit and crystallizes in triclinic system (space group P \(\bar 1\), Z = 2) with the following unit cell parameters: a = 9.295(7) Å, b = 17.619(2) Å, c = 6.8570(7) Å, α = 87.420(9)°, β = 101.109(9)°, γ = 91.847(9)°. The compounds Ag1 ? x Mg1 ? x Al1 + x (MoO4)3 and AgMg3Al(MoO4)5 are thermally stable up to 790 and 820°C, respectively. 相似文献
4.
Vahid Saheb Samira Maleki 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2018,92(3):442-448
The hydrogen abstraction reactions from CH3Cl2F (R-141b) and CH3CClF2 (R-142b) by OH radicals are studied theoretically by semi-classical transition state theory. The stationary points for the reactions are located by using KMLYP density functional method along with 6-311++G(2d,2p) basis set and MP2 method along with 6-311+G(d,p) basis set. Single-point energy calculations are performed by the CBS-Q and G4 combination methods on the geometries optimized at the KMLYP/6-311++G(2d,2p) level of theory. Vibrational anharmonicity coefficients, x ij , which are needed for semi-classical transition state theory calculations, are computed at the KMLYP/6-311++G(2d,2p) and MP2/6-311+G(d,p) levels of theory. The computed barrier heights are slightly sensitive to the quantum-chemical method. Thermal rate coefficients are computed over the temperature range from 200 to 2000 K and they are shown to be in accordance with available experimental data. On the basis of the computed rate coefficients, the tropospheric lifetime of the CH3CCl2F and CH3CClF2 are estimated to be about 6.5 and 12.0 years, respectively. 相似文献
5.
Thermal decomposition of [Pt(NH3)4][ReHlg6] binary complex salts (Hlg = Cl, Br) in a hydrogen atmosphere has been studied. Polycrystal X-ray diffractometry indicated that two-phase metallic systems are the final products of thermolysis. Structure refinement was performed for [Pt(NH3)4][ReCl6] by the combined technique involving decomposition of the diffractogram into individual reflections, isolation of reflections most sensitive to the position of separate light atoms, and full-profile analysis. Crystal data for PtReN4Cl6H12: a = 11.616(1) Å, b = 10.998(1) Å, c = 10.377(1) Å, V = 1148.1 Å3, space group Cmca, Z = 4, d x = 3.831 g/cm3. The indices are Rp = 5.48%, Rwp = 10.01%, R(F2) = 12.62%. The coordination polyhedron of Re is an almost regular octahedron: Re-Cl 2.34–2.36 Å, ∠ Cl-Re-Cl 86.9–90.3°; the coordination polyhedron of Pt is a square: Pt-N 2.04 Å, ∠N-Pt-N 90.4°. 相似文献
6.
A continuous solid solution LaMn1?y Cr y O3 with an orthorhombic structure is found to exist in the range of 0.0 ≤ y ≤ 1.0. An orthorhombic solid solution La1?x Sr x CrO3 exists in the range of 0.0 ≤ x ≤ 0.1. The stability boundaries are determined for the perovskite phase La1?x Sr x Mn1?y Cr y O3. An isobaric-isothermal section LaMnO3-SrMnO3-SrCrO4-LaCrO3 of the system La2O3-SrO-Mn3O4-Cr2O3 in air at 1100°C is designed. 相似文献
7.
M. Yu. Shilova A. V. Vologzhanina L. B. Serezhkina S. A. Novikov V. N. Serezhkin 《Russian Journal of Inorganic Chemistry》2011,56(10):1555-1560
A new complex [UO2CrO4{CH3CON(CH3)2}2] (I) was studied by thermal analysis, IR spectroscopy, and X-ray crystallography. The crystals are monoclinic: a = 13.8108(11) Å, b = 8.6804(7) Å, c = 13.0989(10) Å, β = 104.777(1)°, V = 1518.4(2) Å3, space group P21/c, Z = 4, R = 2.39%. The structure of I contains infinite chains of the [UO2CrO4{CH3CON(CH3)2}2] composition running along [001]; the complex belongs to the AT11M1 2 crystal-chemical group (A = UO 2 2+ , T11 = CrO 4 2? , M1 = CH3CON(CH3)2) of uranyl complexes. The chains are linked into a three-dimensional framework due to hydrogen bonds between oxygen atoms of chromate ions and hydrogen atoms of methyl groups of the dimethylacetamide. 相似文献
8.
K. V. Yusenko I. V. Korolkov S. A. Gromilov S. V. Korenev 《Journal of Structural Chemistry》2007,48(2):379-382
The crystal structure of [Os(NH3)5Cl][ReCl6] has been refined by X-ray powder analysis: a = 11.645(3) Å, b = 8.3788(2) Å, c = 15.277(4) Å, β = 91.029(6)°, V = 1490(1) Å3, d x = 3.163 g/cm3, space group P21/m, Z = 4. The thermolysis product of the salt in a hydrogen atmosphere is a solid substitution solution Os0.5Re0.5: a = 2.753(2) Å, c = 4.366(3) Å, space group P63/mmc; coherent scattering region (CSR) is ~230 Å. 相似文献
9.
I. B. Baranovskii M. D. Surazhskaya G. G. Aleksandrov 《Russian Journal of Inorganic Chemistry》2009,54(3):381-384
Heating of a hydrochloric acid solution of trans-PtPy(NH2CH2CN)Cl4 results in the hydrolysis of coordinated aminoacetonitrile to aminoacetic acid with the formation of a five-membered chelate ring attached to platinum through the nitrogen atom of the amino group and the oxygen atom of the carboxy group. X-ray diffraction analysis of [PtPy(NH2CH2COO)Cl3] is carried out. The crystals are monoclinic: space group C2/c, a = 21.704(2), b = 8.7027(7), c = 15.576(1) Å, β = 126.606(1)o, V = 2361.8(3) Å3, Z = 8; R hkl = 0.057, wR = 0.141. In the neutral complex, the Pt atom has a distorted octahedral coordination. The equatorial plane is formed by a Cl atom (Pt-Cl, 2.284(3) Å), the N atom of the Py molecule (Pt-N, 2.062(8) Å), and the N and O atoms of the bidentate-chelating ligand (Pt-N, 2.039(8); Pt-O, 2.026(7) Å); two Cl atoms are arranged in the apical positions (Pt-Cl, 2.301(3) and 2.312(3) Å). The five-membered chelate ring has a flattened gauche conformation with an NCCO torsion angle of 19(1)°. 相似文献
10.
The subsolidus phase composition of the M2O-CdO-V2O5 systems with M = Li or Na is studied. Double orthovanadates MCdVO4 and MCd4(VO4)3 form solid solutions of composition Li1 ? 2x/3Cd x/3CdVO4 (0 ≤ x ≤ 1, orthorhombic space group Cmcm, modulation at x = 0.6) and Na3 ? 2x Cd3 + x (VO4)3 (0 ≤ x ≤ 0.10 and 0.30 ≤ x ≤ 1, orthorhombic space group Cmcm and Pn21 a or Pnma, respectively). In the range 0.10 < x < 0.30, the end-members of the solid solutions coexist. Isothermal sections of the systems are mapped. 相似文献
11.
P. E. Plyusnin E. Yu. Semitut I. A. Baidina L. A. Sheludyakova S. V. Korenev 《Journal of Structural Chemistry》2009,50(3):479-484
The crystal structures of compounds from the series [M(NH3)5Cl](NO3)2, (M = Ir, Rh, Ru) were described. The compounds crystallized in the tetragonal crystal system, space group I4, Z = 2. Crystal data for [Ir(NH3)5Cl](NO3)2 (I): a = 7.6061(1) Å, b = 7.6061(1) Å, c = 10.4039(2) Å, V = 601.894(16) Å3, ρcalc = 2.410 g/cm3, R = 0.0087; [Rh(NH3)5Cl](NO3)2 (II): a = 7.5858(5) Å, b = 7.5858(5) Å, c = 10.41357(7) Å, V = 599.24(7) Å3, ρcalc = 1.926 g/cm3, R = 0.0255; [Ru(NH3)5Cl](NO3)2 (III): a = 7.5811(6) Å, b = 7.5811(6) Å, c = 10.5352(14) Å, V = 605.49(11) Å3, ρcalc = 1.896 g/cm3, R = 0.0266. The compounds were defined by IR spectroscopy and XRPA and thermal analyses. 相似文献
12.
L. B. Serezhkina E. V. Mit'kovskaya I. V. Medrish E. V. Grechishnikova F. M. Dolgushin M. Yu. Antipin V. N. Serezhkin 《Russian Journal of Coordination Chemistry》2005,31(12):889-893
The single crystals of [UO2SO4{(CH3)HNCONH(CH3)}2] (I) were synthesized and studied by X-ray diffraction. The crystals are monoclinic, a = 6.847(1) Å, b = 14.259(3) Å, c = 14.297(3) Å, β = 93.451(4)°, space group P21/n, Z = 4. The main structural units of crystals I are ribbons whose composition coincides with the composition of the compound. The crystal chemical formula of the complex is AT3M 2 1 (A = UO 2 2+ ). 相似文献
13.
Crystal structures of (NH4)3ZrF7 (I) and (NH4)3NbOF6 (II) are refined by X-ray diffraction at room temperature. The compounds are isostructural and belong to the structural type of elpasolite: space group F23; a(I) = 9.4185(3) Å, a(II) = 9.3371(5) Å; V(I) = 835.50(5) Å3, V(II) = 814.02(8) Å3; Z = 4; R(I) = 0.0145, and R(II) = 0.0138. The refinement of the structures in the space group Fm3m yields abnormally short X-X distances in the pentagonal bipyramid MX7 (X = F, O). The oxygen atom in II is identified by Nb-X distances and occupies one of the axial vertices of the bipyramid. The Nb atom in II is statistically distributed over the position 24f, while Zr in I resides in the symmetry center. The pentagonal bipyramid MX7 has six independent orientations in I and twelve in II. One of three crystallographically independent ammonium groups of the structures is disordered over six or twelve equivalent orientations. 相似文献
14.
Phase relationships in the subsolidus region of the system Na2MoO4-MnMoO4-Cr2(MoO4)3 were studied by means of X-ray diffraction and differential-thermal analyses. The possibility of obtaining a variablecomposition phase Na1?x Mn1?x Cr1+x (MoO4)3 (0 ≤ x ≤ 0.5) and ternary molybdate NaMn3Cr(MoO4)5 was examined. The temperature dependence of the conductivity of the phase Na1?x Mn1?x Cr1+x (MoO4)3 was analyzed. 相似文献
15.
S. A. Gromilov S. P. Khranenko D. A. Piryazev N. V. Kuratieva 《Journal of Structural Chemistry》2016,57(4):725-730
The monoclinic modification of [Cu(NH3)4](ReO4)2 complex salt in the range 100-410 K is studied by single crystal X-ray diffraction. The crystallographic data for 300 K are as follows: a = 10.6123(3) Å, b = 7.5443(2) Å, c = 15.2261(4) Å, β = 108.406(1)°, V = 1156.67(5) Å3, space group Р21/n, Z = 4, dx = 3.623 g/cm3. The coordination environment of the Cu atom, being a distorted square formed by four nitrogen atoms with Cu–N of 1.997-2.018 Å, is completed by the contacts with two oxygen atoms Cu…O of 2.472 Å and 2.598 Å. The comparative crystal chemical analysis with the triclinic modification of [Cu(NH3)4](ReO4)2 known in the literature is performed. 相似文献
16.
K. V. Yusenko S. A. Gromilov I. A. Baidina I. V. Korolkov S. V. Korenev 《Journal of Structural Chemistry》2005,46(1):109-115
A binary complex salt [Rh(NH3)5Cl][ReBr6] has been synthesized and investigated by X-ray diffraction analysis. Crystal data: a = 8.541(5) Å, b = 12.015(6) Å, c = 16.496(9) Å; α = 73.695(10)°, β = 89.746(9)°, γ = 89.676(9)°, V = 1624.7 Å3, space group \(P\overline 1 \), Z = 4, D x = 3.635 g/cm3, R = 0.12. It is shown that the product of thermolysis of the salt in the atmosphere of hydrogen and helium is a solid solution Rh0.5Re0.5 with hcp cell parameters a = 2.731(5) Å and c = 4.368(7) Å. 相似文献
17.
L. S. Ivashkevich A. F. Selevich A. S. Lyakhov A. I. Lesnikovich 《Russian Journal of Inorganic Chemistry》2007,52(8):1274-1279
The characteristics of crystal structures of the titanium(IV) diammonium (Ti(NH4)2P4O13) and tin(IV) diammonium (Sn(NH4)2P4O13) tetraphosphates, which are isostructural with similar silicon(IV) and germanium(IV) salts, have been obtained by the Rietveld method using X-ray powder diffraction data. The compounds crystallize in the triclinic system, space group P \(\overline 1 \), Z = 2, a = 15.0291(7) Å, b = 7.9236(4) Å, c = 5.0754(3) Å, α = 99.168(3)°, β = 97.059(3)°, γ = 83.459(3)° for Ti(NH4)2P4O13 and a = 15.1454(7) Å, b = 8.0103(5) Å, c = 5.1053(3) Å, α = 99.898(6)°, β = 96.806(3)°, γ = 83.881(4)° for Sn(NH4)2P4O13. The structure is refined in the isotropic approximation using the pseudo-Voigt function: R p = 0.077, R Bragg = 0.045, R F = 0.057 for Ti(NH4)2P4O13; R p = 0.082, R Bragg = 0.044, R F = 0.046 for Sn(NH4)2P4O13. The hydrogen atoms of the ammonium cations are placed in the calculated positions. A comparative analysis of the structures of the compounds of the MIV(NH4)2P4O13 (MIV = Si, Ge, Ti, Sn) series has been carried out. 相似文献
18.
N. I. Kadyrova Yu. G. Zaynulin A. P. Tyutyunnik N. V. Melnikova A. V. Korolev 《Russian Journal of Inorganic Chemistry》2011,56(12):1870-1874
Perovskite-related oxide Tm x Cu3V4O12 (space group Im \(\bar 3\), Z = 2, a = 7.262?7.273 Å) with vacancies in the cationic sublattice has been prepared for the first time under barothermal conditions (p = 7.0?9.0 GPa, T = 900?1100°C). Electric resistivity (10–300 K) and magnetic susceptibility (0–300 K) were studied as a function of temperature. Tm x Cu3V4O12 is shown to have a metallic conductivity and paramagnetism. 相似文献
19.
Novel complex salts [Au(en)2]Cl(ReO4)2 (I) and [Au(en)2](ReO4)3 (II), en = ethylenediamine, are obtained. Their crystal structures are determined by single crystal X-ray diffraction. Complex I crystallizes in the triclinic crystal system: a = 6.2172(7) Å, b = 7.1644(8) Å, c = 8.8829(8) Å, α = 96.605(4)°, β = 110.000(4)°, γ = 97.802(4)°, P-1 space group, Z = 1, d x = 3.905 g/cm3; complex II crystallizes in the monoclinic crystal system: a = 15.244(2) Å, b = 7.6809(8) Å, c = 9.3476(12) Å, β = 127.004(3)°, C2 space group, Z = 4, d x = 4.057 g/cm3. 相似文献
20.
N. I. Kadyrova Yu. G. Zainulin V. L. Volkov G. S. Zakharova A. V. Korolev 《Russian Journal of Inorganic Chemistry》2007,52(6):825-828
Perovskite-like nonstoichiometric oxide La x Cu3V4O12 (space group Im \(\bar 3\), Z = 2, a = 7.313–7.354 Å) with cation-site vacancies has been prepared for the first time at high pressures (p = 6.0–8.0 GPa) and high temperatures (T = 700–1100°C). The compound has metal-type conductivity and paramagnetic properties, and undergoes a phase transition. 相似文献