barium tetracyanoplatinate(II) tetrahydrate | 13755-32-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: barium tetracyanoplatinate(II) tetrahydrate
• CAS: 13755-32-3
• 化学式: Ba*C₄N₄Pt*4H₂O
• 分子量: 508.542
• InChiKey: BBYLKQFCIDTBFK-UHFFFAOYSA-N

物化性质

• 熔点：
  100°C
• 密度：
  2,076 g/cm3
• 溶解度：
  微溶于H2O；不溶于乙醇

计算性质

• 辛醇/水分配系数(LogP)：
  -1.14
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  126.66
• 氢给体数：
  0.0
• 氢受体数：
  4.0

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN1564

反应信息

• 作为反应物：
  描述：

  barium tetracyanoplatinate(II) tetrahydrate 在 cesium sulfate 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  部分氧化氰铂酸盐Rb1.75[Pt(CN)4]·1.25H2O和Cs1.75[Pt(CN)4]·0.5H2O的合成及晶体结构

  摘要：

  部分氧化的氰铂酸盐的晶体结构通过单晶分析确定。Rb1.75[Pt(CN)4]·1.25H2O 在 P21/c 空间群中结晶为单斜晶系 [a = 1171.4(2) pm, b = 3315.3(6) pm, c = 1054.4(2) pm, β = 114.253 (2)°，V = 3733.2(11)·106 pm3，Z = 16，Ntotal = 31567，R(F)N = 0.0858]。该化合物通过混合Rb2[Pt(CN)4]·1.5H2O和Rb2[Pt(CN)4]Br2的水溶液而获得。Cs1.75[Pt(CN)4]·0.5H2O 在 Ibam 空间群中结晶 [a = 1266.1(3) pm, b = 1347.5(3) pm, c = 580.4(1) pm, V = 990.2(3) ·106 pm3，Z = 4，Ntotal = 5997，R(F)N = 0.0807]。

  DOI：

  10.1002/zaac.201200543
• 作为产物：
  描述：

  barium platinum(IV) tetracyanobromide 生成 barium tetracyanoplatinate(II) tetrahydrate
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Pt: MVol.C3, 5, page 282 - 293

  摘要：

  DOI：

文献信息

• Molecular tectonics: polymorphism and enhancement of network dimensionality by a combination of primary and secondary hydrogen bond sites
  作者：Pierre Dechambenoit、Sylvie Ferlay、Mir Wais Hosseini、Nathalie Kyritsakas

  DOI：10.1039/b708997j

  日期：——

  A dicationic tecton bearing four NH and two OH groups, as primary and secondary hydrogen bond donor sites, respectively, leads, in the presence of [M(CN)4]2− anions, to the formation of polymorphic 2- and 3-D hydrogen-bonded networks.

  在[M(CN)4]2- 阴离子存在的情况下，含有四个 NH 和两个 OH 基团的二阳离子构造物（分别作为一级和二级氢键供体位点）会形成多态的二维和三维氢键网络。
• Cyanoplatinate Halides – Synthesis, Crystal Structure Analyses and Vibrational Spectroscopy of Compounds A₂[Pt(CN)₄X₂] (A = Rb, Cs; X = Cl, Br, I)
  作者：Claus Mühle、Jürgen Nuss、Robert E. Dinnebier、Martin Jansen

  DOI：10.1515/znb-2010-0902

  日期：2010.9.1

  Crystal structures of the cyanoplatinates A2[Pt(CN)4X2] (A = Rb, Cs; X = Cl, Br, I) have been determined by single-crystal analysis and X-ray powder diffraction. The compounds were synthesized by metathesis from Ba[Pt(CN)4] ·4 H2O and alkali metal sulfates, and by subsequent oxidation with the respective halogens. The crystals were grown by slowly concentrating respective aqueous solutions. The PtIV

  氰基铂酸盐 A2[Pt(CN)4X2] (A = Rb, Cs; X = Cl, Br, I) 的晶体结构已通过单晶分析和 X 射线粉末衍射确定。这些化合物是通过由 Ba[Pt(CN)4]·4 H2O 和碱金属硫酸盐复分解，然后用各自的卤素氧化合成的。通过缓慢浓缩相应的水溶液来生长晶体。PtIV 阳离子由四个氰化物配体和两个卤素原子八面体配位，后者位于反式位置。Rb2[Pt(CN)4Cl2]: 三斜, P¯1 (Z = 2), a = 6.7779(2), b = 9.3149(3), c = 9.6707(3) Å, α = 89.37(0), β = 76.05(0), γ = 72.98(0)°, V = 565.42(2) Å3, N` hkl= 5616, R(F)N` = 0.0273; Rb2[Pt(CN)4I2]: 单斜晶系, P21/c (Z = 2), a = 7.4239(2)
• One-Dimensional Collective Electronic Effects in the Helically Stacked Cs₂[Ni(CN)₄]·H₂O and Cs₂[Pt(CN)₄]·H₂O:  X-ray Structure, Polarized Specular Reflectance, and ZINDO Calculations
  作者：Jeffrey B. Cornelius、Robert M. Trapp、Terry J. Delord、Frank R. Fronczek、Steven F. Watkins、Jill Jasin Orosz、Ronald L. Musselman

  DOI：10.1021/ic026101a

  日期：2003.5.1

  structure of Cs(2)[Ni(CN)(4)].H(2)O and the polarized single-crystal UV absorbance spectra of Cs(2)[Ni(CN)(4)].H(2)O and Cs(2)[Pt(CN)(4)].H(2)O are presented. The two complexes are isostructural, with helical arrangements of M(CN)(4)(2)(-) ions in which there is moderate metal-metal electronic perturbation resulting in a spectral red shift from solution in the UV absorbance spectra. In addition, we

  Cs（2）[Ni（CN）（4）]。H（2）O的X射线结构和Cs（2）[Ni（CN）（4）]。H的偏振单晶紫外吸收光谱提出了（2）O和Cs（2）[Pt（CN）（4）]。H（2）O。这两个络合物是同构的，具有M（CN）（4）（2）（-）离子的螺旋排列，其中存在适度的金属-金属电子扰动，导致溶液在紫外吸收光谱中发生光谱红移。此外，我们用ZINDO计算了螺旋的三分子链段对镍系统进行了建模，发现与实验非常吻合，包括出色地再现了红移。晶体数据如下：Cs（2）[Ni（CN）（4）]。H（2）O，六角形，空间群P6（1），a = 9.5260（10）A，c = 19.043（2）A ，V = 1496.5（3）A（3），T = 100 K，Z = 6，观察到的数据为4335，R = 0.016，R（w）= 0.034。
• New Hydrogen Peroxide Adducts of Alkali Metal Tetracyanoplatinates A₂[Pt(CN)₄] ·H₂O₂ (A = K, Rb, Cs)
  作者：Claus Mühle、Eva-Maria Peters、Martin Jansen

  DOI：10.1515/znb-2009-0115

  日期：2009.1.1

  The title compounds have been synthesized by adding hydrogen peroxide to an aqueous solution of A₂[Pt(CN)₄] (A = K, Rb, Cs). They grow as yellow needles after concentrating and cooling to 4 °C. The structures were elucidated from single crystal analysis. The isostructural compounds crystallize monoclinically, in space group C2/c with Z = 4. K₂Pt(CN)₄ ·H₂O₂: a = 13.3751(7), b = 11.2713(6), c = 6.5461(3) Å, β = 105.432(1)◦, V = 951.3(3) ų. Rb₂Pt(CN)₄ ·H₂O₂: a = 13.6103(2), b = 11.6759(1), c = 6.5683(7) Å, β = 106.588(2)⁰, V = 1000.3(2) ų. Cs² Pt(CN)⁴ ·H²O²: a = 13.9569(2), b = 12.2023(2), c = 6.5857(9) Å, β = 107.590(3)⁰, V = 1069.1(2) ų. As a remarkable feature, the hydrogen bonds O-H···N vary significantly with the cation size: in the Cs compound the O-H bonds are weakest, and the N· · ·H interactions are strongest. All three compounds were characterized by differential thermal analysis, thermogravimetry and infrared spectroscopy.

  这些化合物是通过将过氧化氢加入A₂[Pt(CN)₄] (A = K、Rb、Cs)的水溶液中合成的。在浓缩并冷却至4°C后，它们会生长成黄色针状晶体。这些化合物的结构是通过单晶分析确定的。等同结构的化合物以单斜晶系结晶，空间群为C2/c，Z = 4。K₂Pt(CN)₄·H₂O₂：a = 13.3751(7) Å，b = 11.2713(6) Å，c = 6.5461(3) Å，β = 105.432(1)◦，V = 951.3(3) ų。Rb₂Pt(CN)₄·H₂O₂：a = 13.6103(2) Å，b = 11.6759(1) Å，c = 6.5683(7) Å，β = 106.588(2)◦，V = 1000.3(2) ų。Cs₂Pt(CN)₄·H₂O₂：a = 13.9569(2) Å，b = 12.2023(2) Å，c = 6.5857(9) Å，β = 107.590(3)◦，V = 1069.1(2) ų。值得注意的是，氢键O-H···N随阳离子大小变化显著：在Cs化合物中，O-H键最弱，N···H相互作用最强。这三种化合物均通过差热分析、热重分析和红外光谱表征。
• Crystal Structure Elucidation of Anhydrous Rb2[Pt(CN)₄] from X-Ray Powder Diffraction Data
  作者：Claus Mühle、Andrey Karpov、Martin Jansen

  DOI：10.1515/znb-2005-1209

  日期：2005.12.1

  The title compound has been synthesized by metathesis of Ba[Pt(CN)₄]·4 H₂O with Rb₂SO₄, in aqueous solution. Its crystal structure was solved from X-ray powder diffraction data using the simulated-annealing approach, and refined by Rietveld’s method. The compound crystallizes in space group Imma, a = 11.1432(2), b = 7.4382(1), c = 11.1896(2) Å, V = 927.45(3) ų, Z = 4, R_p = 0.0402, R_w = 0.0247 (N_hkl = 173). Square-planar tetracyanoplatinate groups stack in an unprecedented eclipsed conformation, forming one-dimensional linear chains of Pt-atoms with Pt-Pt separations of 3.719 Å . Rb₂[Pt(CN)₄] was characterized by differential thermal analysis, thermogravimetry and infrared spectroscopy.

  该化合物通过在水溶液中使用Rb2SO4与Ba[Pt(CN)4]·4 H2O进行交换反应合成。其晶体结构是通过模拟退火方法从X射线粉末衍射数据中解决的，并通过Rietveld方法进行了优化。该化合物结晶于空间群Imma，a = 11.1432(2)，b = 7.4382(1)，c = 11.1896(2) Å，V = 927.45(3) Å3，Z = 4，Rp = 0.0402，Rw = 0.0247（Nhkl = 173）。方平面四氰合铂基团以前所未有的交错构象堆叠，形成具有Pt-Pt间距3.719 Å的一维线性链。Rb2[Pt(CN)4]通过差热分析、热重分析和红外光谱进行了表征。