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本文报道了含双端氧配位的Mo—Fe—S原子簇化合物[Fe(MoS_4O)_2][N(C_2H_5)_4]_3的合成、晶体结构和分子结构。该化合物的晶体属单斜晶系,P2_1/n空间群,晶胞参数为:a=13.019(4),b=16.959(5),c=18.234(5),β=97.34(2)(°),z=4。最终一致性因子为:R=0.0740,R_w=0.0598。该化合物中的Mo—S_t端键和Mo—S_b桥键比不合端氧配位的相应化合物Mo—S键长长得多,可能是由于Mo的价态降低和氧的电负性比硫大得多,氧对Mo的配位使s→→O发生电荷转移的缘故。 相似文献
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气相色谱法研究配位化合物的热稳定性 II.草酸配位化合物的热分解动力学 总被引:1,自引:0,他引:1
In this paper kinetics of thermal decomposition of oxalato coordination is stuided by gas chromatography. A kinetic equation of thermal decomposition is proposed. A computer program which was written in FORTRAN-IV language has been worked out to evaluate the activation energy and the Arrhenius pre-exponential factor. The results of calculation show that the equation is better agreement with the experimantal data. The activation step in decomposition of Fe(C2H4)3 is discussed on basis of calculation by EHMO method. 相似文献
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气相色谱法研究配位化合物的热稳定性——Ⅰ.草酸配位化合物的热分解 总被引:1,自引:0,他引:1
以气相色谱为主要手段,测定了25种草酸配位化合物的热稳定性,得到了许多差热分析和热失重方法所得不到的信息.二价金属草酸盐的热分解可分为三种类型:产生CO2和金属,产生CO,CO2和金属氧化物以及产生CO和金属碳酸盐.某些草酸盐的热分解同时按其中的两种类型进行.草酸配位化合物分解CO2峰值温度随中心离子标准电极电位增加而降低,大致有线性关系tp=-86.2E10+273(℃).还对二价金属草酸盐进行了理论计算,讨论了电子结构与热稳定性的关系. 相似文献
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对传统K3[Fe(C2O4)3]·3H2O制备实验进行改造,使其由普通制备实验升级为集制备、组成定量测定和光化学性质实验为一体的综合实验。该综合性实验共需12学时完成,在技术上集配合物制备、减压过滤、蒸发浓缩结晶、重量分析、氧化还原滴定、电导率法测定离子电荷等于一体,在理论上涉及沉淀溶解、氧化还原、配位和光致变色等多种反应类型。该综合性实验对实验设备要求低,教学过程可操作性强,综合性强。经过8年的教学实践发现,该实验能大大激发学生主动思考,拓展了学生思维跨度和深度,取得良好的教学效果。 相似文献
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《结构化学》1989,(1)
<正> The title complex (Mr= 1442.6) crystallizes in the monoclinic, space group PC, with a =14.515(7),b =15.773(5), c =16.287(11)51,β=95.13(5)°,Z=2,V=3713.8A3,Dc=1.29 g·cm-3. The structure was solved by Patterson method and the final R=0.068. The potassium atom in the cation lies between the two planes of the oxygen atoms from two benzo-15-crown-5 molecules. 相似文献
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合成了稀土铁双核配合物:〔C_5H_5Fe(CO)_2〕LnCl_2·nTHF(Ln=Nd,Sm,Gd;n=1,2)和〔C_5H_5Fe(CO)_2〕〔C_5H_4(SiMe_3)〕·LnCl·nTHF(Ln=Nd,Sm,Gd;n=0,1,2)。元素分析,热分析,红外光谱和质谱分析确认了这两种配合物。红外光谱数据表明铁与稀土原子是以羰基桥连接。晶体结构分析表明〔(C_5H_5Fe(CO)_2〕Na·4THF是〔C_5H_5Fe(CO)_2〕LnCl_2·nTHF合成的中间体。 相似文献
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Two novel organic base templated nonmetal borates [(CH3)2NH2]2[B5O6(OH)4]2·[HCON(CH3)2] ( ? ) and [NH3CH2CH2NH3]2[B14O20(OH)6] ( II ) have been synthesized under hydrothermal conditions, and characterized by elemental analyses, FT‐IR spectroscopy, X‐ray diffraction, and TG‐DTA. Their crystal structures were determined from single crystal X‐ray diffraction. The crystal structure of compound I is characterized by forming a 3D supramolecular structure with large channels along axes b and c through O? H···O hydrogen‐bonding among the [B5O6(OH)4]? anions. The crystal structure of compound II is characterized by forming a 3D supramolecular structure with large channels along axis a and direction [111] through O? H···O hydrogen‐bonding among the [B14O20(OH)6]4? anions. The templating organic amine cations in I and II are both obtained through in situ hydrothermal reactions, and are both located in the channels of the 3D supramolecular structure, respectively. Their thermal behavior has been also investigated. 相似文献
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标题化合物是通过(NH_4)_2WS_4,CuCl_2·2H_2O在吡咤溶液中反应制得。晶体呈蓝色,属三斜晶系,空间群,晶胞参数为:a=13.555(7),b=13.666(5),c=17.860(13),a=69.08(4)°β=87.39(5)°,γ=70.72(4)。V=2907(3),Z=1,D_m=2.56g cm~(-3).结构由Patterson法和Fourier法测出。对5692个收集到的独立衍射数据进行计算,最后R= 0.046.结构测定表明,晶体由W_(10)O_(32)~(4-),[CuCl(C_5H_5N)_4]~+,C_5H_5N和H_2O所组成。W_(10)O_(32)~(4-)的结构见图1,W原子处在O原子的八面体配位中,彼此共边和共顶点相连。[CuCl(C_5H_5N)_4]~+的结构见图2,Cu原子由1个Cl和4个N原子配位,呈略有变形的四方锥形,这种离子是首次报导。C_5H_5N和H_2O填入正负离子堆积的空隙中。 相似文献
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采用点群链R(3)*O*D3*关系标记D3*点群的斯塔克能级。基于双层点电荷配位场(DSCPCF)和经典的简单点电荷配位场(PCF)两种模型,利用自编的计算程序对三角对称(D3)的[Er(C4H4O5)3].2NaC lO4.6H2O晶体中Er3+离子的65个配位场微扰能级进行了理论计算和归属,计算结果与实验能级进行比较,DSCPCF模型得到的均方根偏差(σ)为19.9 cm-1,而PCF模型计算的为25.5 cm-1,表明前者模型更为优越,它是基于实际的配位结构并且仅包含较少的拟合参数。 相似文献
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合成了一维配位镨聚合物[Pr(C5H4NCOO)3(H2O)2]n,表征了其晶体结构.结果表明,该配合物属单斜晶系,P21/c空间群;晶胞参数:a=0.970 77(12)nm,b=1.985 2(2)nm,c=1.165 82(14)nm,β=112.023(10)°,V=2.082 8(4)nm3,Z=2;每个镨离子同6个异烟酸配体的氧原子和2个配位水的氧原子配位,形成畸变的反四方棱柱体配位构型.配体异烟酸将相邻的2个镨离子相连,形成一维链状结构. 相似文献
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(C5H4CH3)3Ho和(C5H4CH3)2Ho(C5H5)与5-苯基四唑(HN4CPh)在THF中反应,得到复合产物[(C5H4CH3)2HoN4CPh]2·[(C5H4CH3)(C5H5)HoN4CPh]2,该晶体属三斜晶系,P1空间群,晶胞参数为a=9.386(3),b=13.071(3),c=16.571(2)A,a=86.90(1),β=74.61(2),γ=77.30(2)°,V=1912.2(8)A3,Z=1,Dc=1.602g/cm3,Mr=922.61,μ=41.92cm-1,F(000)=896,最终偏离因子R=0.041,Rw=0.056.晶体数据显示,在同一个晶胞里有两个组成不同的分子,每一个分子都是具有对称中心的四唑基桥二聚体结构,其桥环单元-HoN3HoN3-是平面型的。每个钬原子分别被两个茂基和3个四唑基氮原子配位,形成1个边桥变形四面体构型。 相似文献
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《结构化学》1990,(3)
<正> The crystal structure of the complex [Li(THF)4]2[{(η5-CH3C5H4)Nd-Cl(μ2-Cl)NdCl2(η5-CH3C5H4)}2(μ4-O)] has been determined by X-ray diffraction technique. The crystal is monoclinic of space group C2/c with a = 22. 740(7) ,b= 18. 319 (6),c=18. 330(6) A,β=93. 04(3)°,V = 7624. 93A3,Dc= 1. 55g/cm3,Z = 4,F(000) = 2800,μ=15. 02cm-1. The complex is consisted of two [Li(THF)4]+cations and one [{(η5-CH3C5H4)NdCl(μ2-Cl)NdCl2(η5-CH3C5H4)}2(μ4-O)]2-dianion. The two units [Cη5-CH3C5H4)NdCl(μ2-Cl)NdCl2(η5-CH3C5H4)] in the tetra nnclear-neodymium dianion are connected by a μ4-O bridge with the average Nd -μ4-O 2. 36(1) A ,Nd -C(ring) 2. 76(3)A,Nd-Cl 2. 823(7)A and Nd-μ2-Cl 2. 798(7)A. 相似文献
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1 INTRODUCTION Organic-inorganic hybrid materials and polyoxo-metalates have received much attention because of their intriguing structural diversity and potential applications in molecular adsorption, ion exchange, heterogeneous catalysis and nanotech nology as well as in electrical, magnetic and photochemical areas[1, 2]. One of the important ad- vances in the design of new organic-inorganic hybrid materials is utilizing poly- oxometalates’ coordination ability to produce poly- oxoanio… 相似文献
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[η~3-C_3H_5Fe(CO)_3]_2是由Fe_2(CO)_9和C_3H_5C1在常温下合成得到的。晶体属单斜晶系,空间群为P2_1/n,单胞参数为:a=8.248(1),b=9.021(5),c=9.238(2),β=91.99(1)°,V=686.9(6)°。根据fw=361.9和Z=2计算密度Dcal=1.75g/cm~3。在CAD4四圆衍射仪上用MoKα射线收集了独立衍射数据1643个(I>2σ(I))。[η~3-C_3H_5Fe(CO)_3]_2的晶体和分子结构是用直接法解出,所有非氢原子的坐标参数和各向异性热振动参数经全矩阵最小二乘法修正,最后偏离因子 R_1(F)=0.043。和R_2(F)=0.061,分子具有Ci—1对称性。分子中Fe—Fe距离为3.028,这个数值同Stucky和Muetterties合成的[η~3-C_3H_5Fe(CO)_3]_2中Fe—Fe距离为3.138有明显的差别。 相似文献