CrCl3(tripod) | 100243-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: CrCl3(tripod)
• 英文别名: (1,1,1-tris(dimethylphosphinomethyl)ethane)trichlorochromium(III)；[3-dimethylphosphanyl-2-(dimethylphosphanylmethyl)-2-methylpropyl]-dimethylphosphane;trichlorochromium
• CAS: 100243-98-9
• 化学式: C₁₁H₂₇Cl₃CrP₃
• 分子量: 410.612
• InChiKey: MXRCGJYXURZCMS-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  CrCl3(tripod) 在 n-butyl lithium 作用下， 以 正己烷 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  铬（III）的混合卤代/正烷基化合物：Cr（n-Bu）2 Cl [（Me 2 PCH 2）3 CMe]的合成，结构和反应活性

  摘要：

  已经合成，表征了Cr（n-Bu）2 Cl [（Me 2 PCH 2）3 CMe]，并对其甲苯溶剂化物进行了单晶X射线结构测定。空间群PCNB与（ - 158℃）一18.696（7），b 15.055（5），Ç 21.697（7），Ž = 8和- [R（F）= 0.0805。有用于在结构agostic CH铬相互作用没有证据，但烷基原因的Cr-P键相比具有显着延长到氯作为组反式到P. 1类似的甲基，乙基，丙基和丁基化合物的1 H NMR谱图表明，只有烷基取代基的γ和δ氢给出可检测的信号，而三脚架配体上的所有氢均被观察到。

  DOI：

  10.1016/0022-328x(89)85144-7
• 作为产物：
  描述：

  1,1,1-tris(dimethylphosphinomethyl)ethane 、 三氯化铬 在 锌 作用下， 以 四氢呋喃 为溶剂， 生成 CrCl3(tripod)
  参考文献：
  名称：

  Thaler, Eric; Folting, Kirsten; Huffman, John C., Inorganic Chemistry, 1987, vol. 26, # 3, p. 374 - 377

  摘要：

  DOI：

文献信息

• Syntheses, Structures and Spectroscopic Properties of Mixed-Ligand Chromium(III) Complexes Containing 1,2-Bis(dimethylphosphino)ethane, 1,3-Bis(dimethylphosphino)propane or 1,1,1-Tris(dimethylphosphinomethyl)ethane
  作者：Takayoshi Suzuki、Kazuo Kashiwabara、Tsutomu Usami、Takeshi Imamura、Masakazu Kiki、Junnosuke Fujita、Sumio Kaizaki

  DOI：10.1246/bcsj.74.1055

  日期：2001.6

  Mixed-ligand chromium(III) complexes containing di- or tridentate phosphines, trans-[CrX2(dmpe)2]+ (X = Cl, Br, I, CN, NCS or N3; dmpe = Me2P(CH2)2PMe2), trans-[CrX′2(dmpp)2]+ (X′ = Cl, Br or I; dmpp = Me2P(CH2)3PMe2), [CrX′′3(tdmme)] (X′′ = Cl, Br, CN or NCS; tdmme = MeC(CH2PMe2)3) and [CrCl2(tdmme)(PMe3)]+, have been prepared and their structures and spectroscopic properties have been investigated

  含有二或三齿膦的混合配体铬 (III) 配合物，反式-[CrX2(dmpe)2]+ (X = Cl、Br、I、CN、NCS 或 N3；dmpe = Me2P(CH2)2PMe2)，反式-[CrX'2(dmpp)2]+ (X' = Cl, Br 或 I; dmpp = Me2P( )3PMe2), [CrX''3(tdmme)] (X'' = Cl, Br, CN 或NCS; tdmme = MeC( PMe2)3) 和 [CrCl2(tdmme)(PMe3)]+，已经被制备，并且已经研究了它们的结构和光谱特性。trans-[CrI2(dmpp)2]I (6) 和 [Cr(CN)3(tdmme)]·2H2O (16·2H2O) 的单晶 X 射线分析也有报道。6 (2.5147(6) A) 中的 Cr-P 键长比 trans-[CrCl2(dmpe)2]BPh4 (av 2.445 A)
• Preparation, crystal structures and spectroscopic properties of chloro(pentane-2,4-dionato){1,1,1-tris(dimethylphosphinomethyl)ethane}chromium(III), cobalt(III) and rhodium(III) hexafluorophosphate: comparison of the MP, MCl and MO (M=Cr, Co and Rh) bond lengths among the three MIII complexes
  作者：Takayoshi Suzuki、Takeshi Imamura、Sumio Kaizaki、Kazuo Kashiwabara

  DOI：10.1016/s0277-5387(02)00859-8

  日期：2002.4

  Three metal(III)-tripodal tridentate phosphine complexes of the formula [MCl(acac)(tdmme)]PF6, where M = Cr, Co or Rh; acac = pentane-2,4-dionate; tdmme = 1,1,1-tris(dimethylphosphinomethyl)ethane, were prepared and their molecular and crystal structures and spectroscopic properties examined. All the complexes crystallized in an isomorphous space group P2(1)2(1)2(1), which is indicative of spontaneous resolution of the enantiomeric pair. The Cr-P bond lengths in [CrCl(acac)(tdmme)]PF6 (average 2.437 Angstrom) are remarkably longer than the corresponding Co-P (average 2.201 Angstrom) and Rh-P (average 2.252 Angstrom) ones. The longer and therefore the weaker Cr-P bonds may explain the relatively weak trans influence of the -PMe2 group in [CrCl(acac)(tdmme)]PF6; among the three Mill complexes, the elongation of M-O bond lengths in [MCl(acac)(tdmme)]PF6 from those in [M(acac)(3)] has been found to be Cr(III) (0.016 Angstrom) < Co-III (0.059 angstrom) < Rh-III (0.096 Angstrom), indicating a much weaker trans influence of the -PMe2 group in the Cr-III complex than in the Co-III and Rh-III, complexes. The first d-d transition band of [CrCl(acac)(tdmme)](+) was observed at 18590 cm(-1). This is appreciably smaller than the corresponding band of the Coin complex at 20960 cm(-1), suggesting the ligand-field strength of tdmme is fairly weak in the Cr-III complex. The ligand-field strength Delta and the Racah's B parameters of [CrCl(acac)(tdmme)](+) were also discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.