Synthesis and crystal structures of yttrium sulfates Y(OH)(SO4), Y(SO4)F,YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F·H2O

Y(OH)(SO₄), Y(SO₄)F, YNi(OH)₃(SO₄)-II and Y₂Cu(OH)₃(SO₄)₂F·H₂O are obtained from hydrothermal reactions at 380°C under a pressure of 210 MPa. Their crystal structures were refined from single-crystal X-ray diffraction data. The four compounds have the following space groups and unit cells: Y(OH)(SO₄), P2₁/n, a=7.9498(6), b=10.9530(9), c=8.1447(6) Å, β=93.764(1)°; Y(SO₄)F, Pnma, a=8.3128(9), b=6.9255(7), c=6.3905(7) Å; YNi(OH)₃(SO₄)-II, Pnma, a=6.9695(8), b=7.2615(8), c=10.292(1) Å; Y₂Cu(OH)₃(SO₄)₂F·H₂O, P2₁/n, a=11.6889(7), b=6.8660(4), c=12.5280(8) Å, β=97.092(1)°. The coordination environments of the yttrium atoms in the four structures vary from highly irregular 6+2, 6+3, 7+1 coordination polyhedra to relatively regular dodecahedra.     

New 1D and 2D metal oxygen connectivities in Cu(II) succinato and glutarato coordination polymers: [Cu3(H2O)2(OH)2(C4H4O4)2] · 4H2O, [Cu4(H2O)2(OH)4(C4H4O4)2] · 5H2O and [Cu5(OH)6(C5H6O4)2] · 4H2O

Two Cu(II) hydroxo succinates [Cu₃(H₂O)₂(OH)₂(C₄H₄O₄)₂]?·?4H₂O (1) and [Cu₄(H₂O)₂(OH)₄(C₄H₄O₄)₂]?·?5H₂O (2) and one Cu(II) hydroxo glutarate [Cu₅(OH)₆(C₅H₆O₄)₂]?·?4H₂O (3) have been prepared and structurally characterized by single crystal X-ray diffraction methods. They feature 1D and 2D copper oxygen connectivity of elongated {CuO₆} octahedra in “4?+?1?+?1” and “4?+?2” coordination geometries. Within 1, linear trimers of three edge-sharing {CuO₆} octahedra are connected into copper oxygen chains, which are bridged by the anti conformational succinate anions to generate 2D layers with mono terminally coordinating gauche succinate anions on both sides. The layers are assembled into a 3D framework by interlayer hydrogen bonds with lattice H₂O molecules distributed in channels. Different from 1, the principal building units in 2 are linear tetramers of four edge-sharing {CuO₆} octahedra. The tetramers are condensed into copper oxygen chains and the succinate anions interlink them into a 3D framework with triangular channels filled by lattice H₂O molecules. The {CuO₆} octahedra in 3 are edge-shared to form unprecedented 2D inorganic layers with mono terminally coordinating glutarate anions on both sides. Interlayer hydrogen bonding interactions are responsible for supramolecular assembly of the layers into a 3D framework with lattice H₂O molecules in the channels. The inorganic layers in 3 can be described as hexagonal close packing of oxygen atoms with the Cu atoms in the octahedral cavities. The title compounds were further characterized by elemental analyses, IR spectra and thermal analyses.     

Reactivity of Mo3PdS4+ 4 Cluster: Evidence for New Ligands PhP(OH)2 and Ph2P(OH) and Structural Characterization of [Mo3(Pd(PPh3))S4(H2O)5Cl4]⋅0.5CH3OH⋅3H2O

Cuboidal cluster aqua complex [Mo₃(PdCl)S₄(H₂O)₉]³⁺ in 4M HCl causes isomerization of (HO)₂P(O)(H), (HO)P(O)(H)₂, PhP(O)(OH)(H), and Ph₂P(O)(H) into hydroxo tautomers P(OH)₃, HP(OH)₂, PhP(OH)₂, and Ph₂P(OH) which are stabilized by P coordination to the Pd atom in the cluster. The reactions were followed by ³¹P NMR and UV/Vis spectroscopy. Hypophosphorous acid H₂P(O)(OH) in the presence of the cluster is rapidly oxidized into phosphorous acid; the reaction can be made catalytic. Coordination of PPh₃ also takes place, giving [Mo₃(Pd(PPh₃))S₄(H₂O)₅Cl₄]0.5CH₃OH3H₂O, whose crystal structure was determined.     

OH+C2H2与OH+C2H4加成反应的热力学和动力学

OH基与乙炔(乙烯)的反应是控制大气中OH基浓度的重要化学反应。对反应OH+C_2H_2,1975年Davis等用FP-RF技术测定了反应的速率常数。1977年,Perry又用同样方法对该反应作出了研究;结果表明,此反应的速率常数强烈地依赖于压力,与Davis等人的实验结果不符。对反应OH+C_2H_4,Atkinson等人的实验研究表明,压力在30.0kPa以下,反应的速率常数随压力而改变;而在30.0—88.4 kPa之间,与压力无关.这与前人的结果不同。两个反应的产物也因温度不同而异.此外,上述反应一般是在近101kPa下发生的,而实验结果大多是在低压下获得的。且目前尚无直接的理论计算结果。为此,我们在从头算水平上用统计热力学方法,对反应     

N2(OH)2光致异构化机理

偶氮化合物 ,如偶氮芳烃、偶氮冠醚、偶氮环糊精等作为有机光化学开关分子具有重要的应用价值 ,已引起了人们的广泛重视[1] 。这类分子作为光化学开关的基本原理是反式的偶氮化合物在光照射下异构化为顺式构型 ,如下图所示 :长期以来 ,人们对该反应的机理持有两种不同看法[2 ,3] :一是分子平面内按角旋转机制 ,二是绕Ｎ =Ｎ键旋转的二面角机制。前者受氮上孤对电子的“阻碍” ,而后者将破坏共轭双键 ,显然两种机制在基态都很难发生 ,而如果光激发后发生ｎ→π 或π→π 跃迁 ,则两种机制均有可能发生。本文用量子化学从头算方法研究基态和激…     

A Raman spectroscopic study of the antimonite mineral peretaite Ca(SbO)4(OH)2(SO4)2·2H2O

Raman spectra of mineral peretaite Ca(SbO)₄(OH)₂(SO₄)₂·2H₂O were studied, and related to the structure of the mineral. Raman bands observed at 978 and 980 cm^?1 and a series of overlapping bands observed at 1060, 1092, 1115, 1142 and 1152 cm^?1 are assigned to the SO₄^2? ν₁ symmetric and ν₃ antisymmetric stretching modes. Raman bands at 589 and 595 cm^?1 are attributed to the SbO symmetric stretching vibrations. The low intensity Raman bands at 650 and 710 cm^?1 may be attributed to SbO antisymmetric stretching modes. Raman bands at 610 cm^?1 and at 417, 434 and 482 cm^?1 are assigned to the SO₄^2? ν₄ and ν₂ bending modes, respectively. Raman bands at 337 and 373 cm^?1 are assigned to O–Sb–O bending modes. Multiple Raman bands for both SO₄^2? and SbO stretching vibrations support the concept of the non-equivalence of these units in the peretaite structure.     

Mg(OH)2· 2MgSO4· 2H2O晶体的水热生长过程

对 MgSO4- NaOH- H2O四元交互体系在 160 ℃水热条件下 ,相同物料配比 ,不同反应时间的晶体生长过程进行了研究 ,得到 5Mg(OH)2@ MgSO4@ 2H2O(简称 MOS)晶须和 Mg(OH)2@ 2MgSO4@ 2H2O棒状晶体两种硫氧镁化合物 .通过化学分析、 X- ray粉末衍射、 FT- IR光谱和 SEM对反应产物进行了表征 .前者是该体系水热条件下介稳产物 ,而新的硫氧镁化合物 Mg(OH)2@ 2MgSO4@ 2H2O是该体系的稳定相.     

SYNTHESIS AND STRUCTURE OF (Et_4N)_2[Ni_2(OSC_5H_4)_2(μ-SC_6H_4OH)_2]

<正> The synthesis and structure of cluster compound(Et4N)2[Ni2-(OSC6H4)2(u-SC6H4OH)2] are reported. Mr = 876.54,space group P21/n, a = 9.179(4), b = 17.487(6), c = 12.840(4) A;B=92.87(3)°;V=2058.6(2)A3; Z = 2; DC = 1.182g·cm-3.     

一维链状高价锰配合物[Mn_2(C_7H_4O_3)_4(CH_3OH)_2]·4H_2O_2CH_3OH的合成与结构

合成了一维链状高价锰配合物[Mn2(C7H4O3)4(CH3OH)2]4H2O2CH3OH,并对其进行了IR、X-射线衍射、UV-Vis和TG-DSC等表征。单晶衍射结果表明,该配合物晶体属三斜晶型,空间群P?晶胞参数a=7.653(5),b=10.486(7),c=12.943(8),=103.24(1),?=104.55(1),?=110.11(1),V=885.4(9)3,Z=1。UV-Vis光谱在547nm有一个吸收峰,相应于Mn(Ⅳ)的d-d电子跃迁光谱。     

On the Crystal Structure of [Cu(OH)_2(H_2O)_2(4-C_5H_4NCOOH)_2]

In their report of the crystal structure of the compound claimed to be [Cu(OH)2(H2O)2(4- C5H4NCOOH)2], the authors did not give any experimental details on the location and refinement of the water and hydroxyl hydrogen atoms[1]; they had assumed the presence of the carboxylic -CO2H unit on the basis of the infrared stretching frequency at 1700 cm-1 that is only of medium intensity. The cell constants for the compound are, in fact, identical, with those documented for tetraaquabis(isonicot…     

Facile Synthesis and Catalytic Properties of β-Co(OH)2 and Mg(OH)2 Nanoplates

β-Co(OH)2 and Mg(OH)2 nanoplates were synthesized via a facile template-free hydrothermal approach. The different conditions of preparation and catalytic properties of the products were studied and discussed. The products were characterized by X-ray diffraction, transmission electron microscopy, scanning electron microscopy, selected area electron diffraction(SAED), and gas chromatograph.     

漫话新制的Cu(OH)2

高中有机化学中的重要试剂——"新制的Cu(OH)2",是一个特定的模糊的表述,之所以特定,是指该试剂是一种检验醛基存在的弱氧化剂;之所以模糊,是把该试剂当成一种Cu(OH)2的悬浊液(事实上分散系中并没有悬浊的Cu(OH)2).     

Mg(OH)2晶须的制备

以MgCl2为原料,NaOH为沉淀剂,研究了它们的浓度配比、反应温度、晶化温度、晶化时间、晶化方式等因素对形成Mg(OH)2晶须的影响. 结果表明,当n(MgCl2): n(NaOH)=1.20: 1.92、混合温度Tm=86 ℃、晶化温度Tc=100 ℃、晶化时间Time=5.5 h时,可以得到发育不完全的初级Mg(OH)2晶须. 若改用水热法晶化,可得到发育较好的Mg(OH)2晶须. 在此基础上,若在NaOH溶液中加入一定量的有机溶剂OR(NaOH浓度不变)时,即可得到发育更完善的Mg(OH)2晶须. 电子显微镜照片显示,粒子呈晶须形状,粒度分布均匀,分散性好,晶形好,纯度高. 并对晶须生长机理进行了初步分析.     

The crystal structure of Fe(SeO2OH)(SeO4)·H2O

Summary The crystal structure of the hydrothermally synthesized compound Fe(SeO₂OH) (SeO₄) · H₂O was determined by single crystal diffraction methods:a=8.355(2) Å,b=8.696(2) Å,c=9.255(2) Å, =93.72(1)°,V=670.95 ų;Z=4, space group P2₁/c,R=0.029,R _w=0.027 for 2430 independent reflections (sin /0.76 Å^–1). Isolated FeO₅(H₂O)-octahedra share five corners with [SeO₂OH] and [SeO₄] groups to form sheets parallel to (100). These sheets are interconnected via hydrogen bonds only.

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Die Kristallstruktur von Fe(SeO₂OH)(SeO₄)·H₂O

Zusammenfassung Die Kristallstruktur der hydrothermal dargestellten Verbindung Fe(SeO₂OH) (SeO₄)·H₂O wurde mittels Einkristallbeugungsmethoden bestimmt:a=8.355(2) Å,b=8.696(2) Å,c=9.255(2) Å, =93.72(1)°,V=670.95 ų;Z=4, Raumgruppe P2₁/c,R=0.029,R _w=0.027 für 2 430 unabhängige Reflexe (sin / 0.76 Å^–1). Isolierte FeO₅(H₂O)-Oktaeder teilen fünf Ecken mit [SeO₂OH]- und [SeO₄]-Gruppen, wobei sie Schichten parallel (100) bilden. Diese Schichten sind nur über Wasserstoffbrücken miteinander verbunden.

     

THEORETICAL STUDY ON THE CONFIGURATION OF [PdCl_2(C_2H_4OH)]-

The configuration of[PdCl_2(C_2H_4OH)]~- has been studied bypseudopotential ab initio method.A cis isomer was found to be the reactionintermediate in the Wacker process.     

A novel heteropolymetalate containing Fe_4(OH)_4 segment: crystal structure of [Me_4N]_10[Fe_4(OH)_4(PW_10O_37)_2]·15H_2O

[Me4N]10[Fe4(OH)4(PW10O37)2] · 15H2O was synthesized by the reaction of FeCl3 ·6H2O, with △-Na8HPW9O34 and Me4NBr. Crystal data: M = 6225.75, space group P21/c with the monoclinic parameters: a = 1.3228(5), b = 3.5634(3), c = 1.5226(2) nm, β = 94.20(2)°, V = 7.1576nm3, 7 = 2,DC = 2.888 g/cm3, Mo Kαradiation (λ = 0.071069 nm), μ= 168.534 cm-1, F(000)=5576, final R = 0.0428 and Rw = 0.1204 for 7086 observed reflections with I > 2σ( I) . The structure of the title compound is the first structurally characterized heteropolymetalate with hydroxo-bridging metal aggregation Fe4OH4 encapsulated in the dimer of Keggin polyoxoanion.     

α-Ni(OH)2的研究进展

本文综述了α-Ni(OH)2在碱液中稳定存在的影响因素,对保持Ni(OH)2的alpha型结构所需条件及解决措施做了阐述;介绍了国内外α-Ni(OH)2电极的最新研究进展,着重叙述了Al3 、Mn3 和Zn2 替代Ni2 的α-Ni(OH)2的制备、稳定性和电化学性能以及尿素热分解制备的α-Ni(OH)2的特性;展望了纳米级α-Ni(OH)2的研究及应用前景.     

α-Ni(OH)2的研究进展

摘要本文综述了α-Ni（OH）：在碱液中稳定存在的影响因素,对保持Ni（OH）2的alpha型结构所需条件及解决措施做了阐述;介绍了国内外α-Ni（OH）2电极的最新研究进展,着重叙述了Al^3＋、Mn^3＋和Zn^2＋替代Ni^2＋的α-Ni（OH）2的制备、稳定性和电化学性能以及尿素热分解制备的α-Ni（OH）2的特性;展望了纳米级α-Ni（oH）2的研究及应用前景。     

Co(OH)2/Ni(OH)2复合电极材料制备及其超级电容性质

以Co(NO_3)_2·6H_2O和Ni(NO_3)_2·6H_2O为钴源和镍源,采用溶剂热法一步合成了Co(OH)_2/Ni(OH)_2复合材料,通过煅烧该复合材料可得到NiCo_2O_4。采用XRD、SEM、BET等对材料进行了表征,结果表明,Co(OH)_2/Ni(OH)_2复合材料是薄片组成的花状形貌,比表面积为37. 48m~2/g。电化学性能测试表明,Co(OH)_2/Ni(OH)_2复合材料比NiCo_2O_4具有更高的比电容值和容量保持率。在0. 5A/g的电流密度下,复合材料比电容值可达到1097. 8F/g,而NiCo_2O_4比电容值仅为86. 1F/g。因此,与煅烧后的NiCo_2O_4材料相比,Co(OH)_2/Ni(OH)_2复合材料具有更加优良的电化学性能,这为高性能超级电容器材料的制备提供了一个新思路。