tetra-n-butylammonium dichloro(oxalato)platinate(II) | 136426-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: tetra-n-butylammonium dichloro(oxalato)platinate(II)
• CAS: 136426-42-1
• 化学式: C₂Cl₂O₄Pt*2C₁₆H₃₆N
• 分子量: 838.943
• InChiKey: RYQVJAIKWAWAGX-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  26.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tetra-n-butylammonium dichloro(oxalato)platinate(II) 、 氯 以 二氯甲烷 为溶剂， 生成 (n-Bu4N)2[PtCl4(oxalate)]
  参考文献：
  名称：

  (n-Bu4N)2[PtX4(ox)], X = Cl, BR 的表示、晶体结构、振动光谱和正坐标分析

  摘要：

  By oxidation of (n-Bu4N)(2)[PtX2(ox)], X = Cl, Br, with Cl-2 or Br-2 in dichloromethane (n-Bu4N)(2)[PtCl4(ox)] (1) and (nBu(4)N)(2)[PtBr4(ox)] (2) are formed. The crystal structure of [(C5H5N)(2)CH2][PtCl4(ox)] (monoclinic, space group C2/m, a = 15.562(1), b = 13.779(1), c = 10. 168(1) Angstrom, beta = 128.099(9)degrees, Z = 4) reveals complex anions with nearly C-2nu point symmetry. The bond lengths in the Cl'-Pt-O-. axes are Pt-Cl' = 2.287 and Pt-O-. = 2.048 and in the Cl-Pt-Cl axis Pt-Cl = 2.314 Angstrom. The oxalato ligand is nearly plane with an O-C-C-O torsion angle of 0.5degrees. In the vibrational spectra the PtX stretching vibrations are observed at 328 and 353 (1) and 201 and 212 cm(-1) (2). The PtX' modes appear at 360 and 343 (1) and 227 and 238 cm(-1) (2). The PtO. stretching vibrations are coupled with internal modes of the oxalato ligands and appear in the range of 400-800 cm(-1). Based on the molecular parameters of the X-ray determination (1) and estimated data (2) the IR and Raman spectra are assigned by normal coordinate analysis. The valence force constants are f(d)(PtCl) = 2.08, f(d)(PtCl') = 2.29, f(d)(PtBr) = 1.56, f(d)(PtBr') = 2.02 and f(d)(PtO.) = 2.46 (1) and 2.35 mdyn/Angstrom (2). Taking into account increments of the trans influence a good agreement between observed and calculated frequencies is achieved. The NMR shifts are delta(Pt-195) = 5623.0 (1) and 4536.1 (2).

  DOI：

  10.1002/1521-3749(200211)628:11<2329::aid-zaac2329>3.0.co;2-c
• 作为产物：
  描述：

  potassium hexachloropalatinate(IV) 在 potassium oxalate 、 tetra-n-butylammonium bromide 作用下， 以 水 为溶剂， 生成 tetra-n-butylammonium dichloro(oxalato)platinate(II)
  参考文献：
  名称：

  含平面铂（II）和草酸铜（II）阴离子的TTF和TSF盐的制备及性能

  摘要：

  摘要通过[TTF] 3 [BF 4] 2或[TSF]的反应制备了四硫富富烯（TTF）和四硒富富烯（TSF）盐与双（草酸酯）铂，二氯（草酸酯）铂和双（草酸酯）铜酸盐阴离子。 3 [BF 4] 2与草酸金属盐，在乙腈或二甲基亚砜中。这些盐包含中性TTF 0或TSF 0以及TTF•+或TSF•+自由基阳离子。盐的电子反射光谱显示在13100–14000或10500–12300 cm -1区域中由二聚（TTF•+）2或（TSF•+）2引起的谱带，以及由于TTF•+引起的谱带。 / TTF 0或TSF•+ / TSF 0电荷转移跃迁在8600-8900 cm -1范围内。TTF盐与草酸铂盐的X射线光电子能谱表明从TTF部分转移到铂酸根阴离子上存在一些负电荷转移。还建议基于ESR光谱，TTF和TSF盐中的平面双（草酸）铜酸盐阴离子以二聚体形式存在。在25°C下，所有的盐都表现为半导体，其电阻率约为10

  DOI：

  10.1016/s0020-1693(00)86585-8

文献信息

• Darstellung, Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse von [PtX2ox]2−, X = Cl, BrProfessor Joachim Strähle zum 65. Geburtstag gewidmet
  作者：J.-G. Uttecht、W. Preetz

  DOI：10.1002/1521-3749(200206)628:5<965::aid-zaac965>3.0.co;2-4

  日期：2002.6

  By treatment of [PtX4](2-) (X = Cl, Br) with C2O42-(ox(2-)) in water [PtCl(2)ox](2-) and [PtBr(2)ox](2-) are formed which have been isolated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structures of [(C5H5N)(2)-CH2][PtCl(2)ox].2H(2)O (1) (orthorhombic, space group Pbca, a = 18.451(1), b = 18.256(1), c = 19.913(1) Angstrom, Z = 16) and [(C5H5N)(2)CH2][PtBr(2)ox] (2) (monoclinic, space group P2(1)/c, a = 7.249(1), b = 10.180(1), c = 21.376(1) Angstrom, beta = 93.415(9)degrees, Z = 4) reveal nearly planar complex anions with C,, point symmetry. The bond lengths are Pt-Cl = 2.286, Pt-Br = 2.405 und Pt-O = 2.016 (1) und 2.030 Angstrom (2), In the vibrational spectra the PtX stretching vibrations are observed at 335 and 336 (1) and 219 and 231 cm(-1) (2). The PtO stretching vibrations are coupled with internal modes of the oxalato ligands and appear in the range of 350 - 800 cm(-1). Using the molecular parameters of the X-Ray determinations the IR and Raman spectra of the (n-Bu4N) salts are assigned by normal coordinate analysis. The valence force constants are f(d)(PtCl) 1.97, f(d)(PtBr) = 1.78 and f(d)(PtO) = 2.48 (1) and 2.38 mdyn/Angstrom (2). Taking into account increments of the trans influence a good agreement between observed and calculated frequencies is achieved. The NMR shifts are delta(Pt-195) = 3603.9 (1) and 3318.1 ppm (2).
• Preparation and properties of bis(oxalato)platinate and bis(1,3-dithiole-2 thione-4, 5-dithiolato)metallate (M = Ni, Pd, and Pt) anion salts with the 1,4-diethylpyrazinium dication
  作者：Yoshito Sakamoto、Gen-etsu Matsubayashi、Toshio Tanaka

  DOI：10.1016/s0020-1693(00)82235-5

  日期：1986.3