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本文用X射线衍射(高温、室温)相热分析(DTA、DSC、TGA)等方法测定了Li_2SO_4-MgSO_4和Li_2SO_4-Li_4SiO_4体系相图,并研究了化合物的性能和晶体结构. Mg_4Li_2(SO_4)_5在840℃由包晶反应形成,它在105℃分解为Li_2SO_4为基的固溶体和MgSO_4.在105℃反应时,形成每摩尔的Mg_4Li_2(SO_4)_5吸热2.57kJ,反应激活能为173.5kJ/mol.Mg_4Li_2(SO_4)_5属正交晶系,在180℃的点阵常数α=8.577A,b=8.741A,c=11.918A,可能的空间群为.P222或Pmmm,Z=2. Li_(8-2x)(SiO_4)_(2-x)(SO_4)_x是在953℃由包晶反应形成的新相.随着温度的降低,相区扩大.在室温x=0.96—0.58.该相属正交晶系,空间群为.Pmmm,Z=2.晶体的点阵常数在x=0.8时有一最大值,α=5.002A,b=6.173A,c=10.608A.Li_(8-2x)(SiO_4)_(2-x)(SO_4)_x在空气中能吸收7.6wt%的水蒸气和其他气体.脱水温度高于350℃,水份的吸脱不改变晶体结构,与沸石分子筛具有相似性质,脱水激活能为171.5kJ/mol. 熔化后的Li_2SO_4-MgSO_4和Li_2SO_4-Li_4SiO_4试样以10℃/min速率降温,分别形成亚稳态共晶体系. 相似文献
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本文用高精度数字式振荡管密度计测定了288K至318K温度范围内三元体系Li_2SO_4-Na_2SO_4-H_2O和Li_2SO_4-K_2SO_4-H_2O的密度。溶液的离子强度范围从0. 1到4. 5mol·kg-1,在两种混合溶液中Na_2SO_4和K_2SO_4的离子强度分数为0. 2,0. 4,0. 6和0. 8。用密度实验值拟合得到了不同温度下Pitzer离子相互作用模型混合参数θ~V和ψ~V,模型的计算值与实验值的偏差在±0. 002 g·cm-3以内。用Pitzer模型计算了不同离子强度下三元体系的混合体积。 相似文献
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采用从头计算MP2和CIS方法分别优化等电子双核d8配合物[Pt2(P2O5H2)4]4-和[Pt2(P2O4CH4)4]4-的基态和激发态结构.结果表明基态Pt-Pt距离分别为0.2905和0.2987nm,与实验的0.2925和0.2980nm符合.NBO计算的Pt-Pt键级以及Pt原子间伸缩振动说明Pt-Pt相互作用具有吸引本质.CIS计算揭示电子激发到Pt-Pt的σ(pz)成键轨道使得相互作用增强.保持激发态几何,含时密度泛函理论(TD-DFT)计算的溶液发射分别为449和475nm,与实验值512和510nm接近. 相似文献
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Todora Ojkova Dimitar Barkov Anton Popov 《Monatshefte für Chemie / Chemical Monthly》2000,131(7):727-732
Zusammenfassung. Die Phasengleichgewichte in den Systemen Cs2SeO4-CoSeO4-H2O und Cs2SeO4-NiSeO4-H2O bei 25.0°C wurden untersucht. Dabei wurde die Entstehung zweier kongruent l?slicher Doppelsalze (Cs2Co(SeO4)2ċ6H2O und Cs2Ni(SeO4)2ċ6H2O) festgestellt, die mittels chemischer, thermogravimetrischer und r?ntgenographischer Methoden identifiziert wurden.
Investigation of the Phase Equilibria in the Systems Cs2SeO4-CoSeO4-H2Oand Cs2SeO4-NiSeO4-H2O at 25.0°C
Summary. Phase equilibria in the systems Cs2SeO4-CoSeO4-H2O and Cs2SeO4-NiSeO4-H2O at 25.0°C were studied. Two congruently soluble double salts (Cs2Co(SeO4)2ċ6H2O and Cs2Ni(SeO4)2ċ 6H2O) were found to be formed which were identified by chemical, thermogravimetrical, and X-ray phase analysis.
Received October 14, 1999. Accepted (revised) February 1, 2000 相似文献
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采用等温溶解法测定了偏钒酸铵(NH4VO3)在NH4H2PO4-H2O和(NH4)3PO4-H2O体系中T = 298.15-328.15 K时的溶解度以及溶液的密度和pH值。结果表明, NH4VO3的溶解度随着(NH4)3PO4或NH4H2PO4溶液浓度的增大,先降低后升高,这是由于同离子效应、化学反应平衡及离子活度的共同作用。比较T = 298.15K时, NH4VO3分别在NH4H2PO4-H2O、(NH4)2HPO4-H2O和(NH4)3PO4-H2O体系中溶解度,发现在相同的磷酸盐浓度下, NH4VO3的溶解度在NH4H2PO4-H2O体系中最大,在(NH4)3PO4-H2O体系中居中,在(NH4)2HPO4-H2O体系中最小。进一步地,在T = 298.15 K和磷酸盐浓度C = 0.5 mol·kg-1时,结合pH值和反应溶度积常数KSP等计算三个体系中的平均离子活度系数(γ±),发现γ±值在(NH4)2HPO4-H2O体系中最大,在(NH4)3PO4-H2O体系中居中,在NH4H2PO4-H2O体系中最小,与溶解度规律一致。 相似文献
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本文用X射线衍射(高温、室温)和热分析(DTA、DSC、TGA)等方法测定了Li~2SO~4-MgSO~4和Li~2SO~4-Li~4SO~4体系相图,并研究了化合物的性能和晶体结构。Mg~4Li~2(SO~4)~5在840℃由包晶反应形成,它在105℃分解为Li~2SO~4为基的固溶体和MgSO~4.在105℃反应时,形成每摩尔的Mg~4Li~2(SO~4)~5吸热2.57kJ,反应激活能为173.5kJ/mol. Mg~4Li~2(SO~4)~5属正交晶系,在180℃的点阵常数α=8.577A,b=8.741A, c=11.918A, 可能的空间群为P222或Pmmm,Z=2。Li~8-2x(SiO~4)~2-x(SO~4)~x是在953℃由包晶反应形成的新相.随着温度的降低,相区扩大,在室湿x=0.96-0.58.该相属正交晶系,空间群为Pmmn,Z=2.晶体的点阵常数在x=0.8时有一定最大值,a=5.002A,b=6.173A, c=10.608A.Li~g-2x(SiO~4)~2-x(SO~4)~x在空气中能吸收7.6wt%的水蒸汽和其他气体,脱水温度高于350℃,水份的吸脱不改变晶体结构,与沸石分子筛具有相似性质,脱水激活能为171.5kJ/mol.熔化后的Li~2SO~4-MgSO~4和Li~2SO~4-Li~4SiO~4试样以10℃/min速率降温,分别形成亚稳态共晶体系。 相似文献
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以低浓度(30(wt)%)的双氧水制备了硫酸钠-过氧化氢-氯化钠加合物,各组分的含量均接近于理论值,其纯度为99.3%;在323K和333K下,研究了4Na2SO4*2H2O2*NaCl于碱性水溶液中的分解动力学.结果表明,在不同条件下,其分解均为一级反应;随着温度和pH的增加,其分解速率加快.置信水平为95%时k和C0的联合置信域均为椭圆形且面积较小,求得的参数精确度较高;优化出的模型能较准确地描述4Na2SO4*2H2O2*NaCl于碱性水溶液中的分解过程. 相似文献
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[(C2H5)4N]2{Fe4S4[S2CN(C2H5)2]4}的晶体和分子结构 总被引:1,自引:0,他引:1
[(C2H5)4N]2{Fe4S4[S2CN(C2H5)2]4}单晶样品在Nicolet-R3四圆衍射仪上收集X射线衍射数据. 分析结果给出其晶胞参数: a=22.125(6), b=11.313(3),c=25.053A; β=118.05(2)°; V=5534.19A^3, Z=4, 空间群Cc. 衍射数据经过Lρ因子和经验吸收效应校正. 分子中铁原子的位置从三维Patterson图上得到. 接着经过若干轮Fourier和差Fourier电子云密度合成, 发现全部其余非氢原子的坐标.氢原子位置根据理论模型计算. 结构修正最后收敛至R=0.073, Rw=0.069. 标题化合物是由[(C2H5)4N]^+和{FeS4[S2CN(C2H5)2]}^2^-组成的离子型化合物. 结构的主要特点表现在阴离子上, 而在阴离子中含有类立方烷型簇核Fe4S4. 该簇核中每个铁原子与五个硫原子配位, 其配位多面体构型均为畸变的四方锥. 相似文献
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E. V. Grechishnikova A. V. Virovets E. V. Peresypkina L. B. Serezhkina 《Russian Journal of Coordination Chemistry》2006,32(8):586-589
The single-crystal X-ray diffraction analysis of [UO2(SeO4)(C2H4N4)2] · 0.5H2O (I) is performed. The crystals are monoclinic: space group C2/c, Z = 8, a = 19.035(2), b = 7.1326(8), c = 21.477(2) Å, β = 109.683(4)°. The main structural units of the crystal are chains of [UO2(SeO4)(C2H4N4)2]. Compound I belongs to the crystal-chemical group AT3M 2 1 (A = UO 2 2+ , T3 = SeO 4 2? , M1 is a cyanoguanidine molecule) of the uranyl complexes. The chains are united into three-dimensional framework through hydrogen bonds involving the oxygen atoms of the selenate and uranyl groups, the nitrogen atoms of cyanoguanidine, and the hydrogen atoms of the cyanoguanidine or water molecules. 相似文献
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V. V. Sharutin V. S. Senchurin O. K. Sharutina A. P. Pakusina O. A. Fastovets 《Russian Journal of Inorganic Chemistry》2011,56(4):558-570
Complexes [(4-MeC6H4)4Sb] 2 + [Hg2I6]2? (I), [(4-MeC6H4)4Sb] 2 + [HgI4]2? (II), [(4-MeC6H4)4Sb] 3 + [Sb3I12]2? (III), were synthesized by reactions of tetra-p-tolylantimony iodide with mercury iodide and antimony iodide, respectively. Tetra-p-tolylantimony perrhenate [(4-MeC6H4)4Sb]+[ReO4]? (IV) was prepared from tetra-p-tolylantimony chloride and sodium perrhenate in acetone. Crystal structures of complexes I, II, and IV were determined by X-ray crystallography. Mercury and rhenium atoms have tetrahedral coordinations in these complexes. The Hg-I and Re-O distances in the structures of I, II, and IV vary within 2.7719(13)–2.7908(12)Å, 2.7028(3)–2.9163(3) Å, and 1.693(3)–1.744(3) Å, respectively. Antimony atoms in two crystallographically independent trinuclear centrosymmetric [Sb3I12]2? anions of complex III have an octahedral environment. Each terminal SbI3 fragment (Sb-It, 2.8265(9)–2.8333(10)Å) is bound to the central atom through tree bridging iodine atoms (Sb(2)-Ibr, 3.2275(9)–3.3620(10)Å). The distances between the central Sb atom and bridging iodine atoms are much shorter (Sb(1)-Ibr, 3.0153(6)–3.0316(6) Å; Sb(3)-Ibr, 2.9926(6)–3.0074(6) Å). 相似文献
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用X射线衍射和差热分析方法研究了在BaO-SrO-B_2O_3三元系中的BaB_2O_4-SrB_2O_4截面与BaB_2O4-SrO截面上的相平衡关系。BaB_2O_4-SrB_2O_4属共晶体系,共晶温度1076±3℃,共晶点组成为SrB_2O_4 67mol%。以BaB_2O_4或SrB_2O_4为基均可形成固溶区。在BaB_2O_4-SrO截面存在一新的化合物,其组成接近于Ba_5Sr_6B_(10)O_(26)。BaB_2O_4固溶体与Ba_4B_2O_7固溶体发生共晶反应,其共晶反应温度随SrO含量的增加从901℃上升到920℃。在富BaB_2O_4一端形成一个很宽的固溶区。在两个截面上,都由于Sr~(2+)替代了BaB_2O_4中的Ba~(2+),使高温相BaB_2O_4在常温得以稳定存在。测定了固溶体点阵常数随组成的变化。确定了常温下SrB_2O_4在BaB_2O_4中的溶解度。并从晶体结构观点讨论了固溶体点阵常数c值随组成变化而a值不变的原因。 相似文献
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Equilibrium solubility curves of the ammonium aluminium sulphate in aqueous solutions of sulphuric acid have been calculated
using checked literature data and our own measurements. The concentration of sulphuric acid ranged from 0 to 23 mass%, temperature
range between 20 and 60°C has been extrapolated up to 75°C by means of a thermodynamically based correlation method. The solubility
correlation as well as the hydration analysis implied a possible destructuralization of solutions at higher acid concentrations.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
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L. B. Serezhkina A. V. Vologzhanina N. A. Neklyudova V. N. Serezhkin M. Yu. Antipin 《Russian Journal of Inorganic Chemistry》2008,53(8):1193-1196
Single crystals of (NH4)2[(UO2)2C2O4(CH3COO)4] · 2H2O have been synthesized and studied. The compound crystallizes in the orthorhombic system with the unit cell parameters a = 6.9225(14) Å, b = 12.327(3) Å, c = 14.619(3) Å, space group Immm, Z = 2, and V = 1247.6(5) Å3. The main structural units of the crystals are the isle binuclear groups [(UO2)2C2O4(CH3COO)4]2? belonging to the crystal-chemical group A2K02B 4 01 (A = UO 2 2+ , K02 = C2O 4 2? , B01 = CH3COO?) of the uranyl complexes. The uranium-containing groups are linked into a three-dimensional framework due to electrostatic interaction with the ammonium cations and through a system of hydrogen bonds involving atoms of the water molecules, oxalate and acetate ions, and ammonium and uranyl cations. 相似文献