Cr(CO)2P(OPh)3(C6Me6) | 195970-82-2

• 英文名称: Cr(CO)2P(OPh)3(C6Me6)
• CAS: 195970-82-2
• 化学式: C₃₂H₃₃CrO₅P
• 分子量: 580.581
• InChiKey: BNCJHJFRKAESDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  亚磷酸三苯酯 、 以 苯 为溶剂， 生成 Cr(CO)2P(OPh)3(C6Me6)
  参考文献：
  名称：

  Strohmeier, W.; Mueller, F. J., Zeitschrift fur Naturforschung, 1963, vol. 23 b, p. 555 - 555

  摘要：

  DOI：

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.6.1.1.4, page 177 - 180
  作者：

  DOI：——

  日期：——
• EPR Spectra of [Cr(CO)₂L(η-C₆Me₆)]⁺ (L = PEt₃, PPh₃, P(OEt)₃, P(OPh)₃):  Analysis of Line Widths and Determination of Ground State Configuration from Interpretation of ³¹P Couplings
  作者：Michael P. Castellani、Neil G. Connelly、Robert D. Pike、Anne L. Rieger、Philip H. Rieger

  DOI：10.1021/om970251p

  日期：1997.9.1

  The preparation and characterization of [Cr(CO)(2)L(eta-C6Me6)] (L = PEt3, PPh3, P(OEt)(3) and P(OPh)(3), are reported. One-electron oxidation affords unstable Cr(I) cations, [Cr(CO)(2)L(eta-C6Me6)](+), EPR spectra of which are reported. Detailed analysis of the anisotropic P-31 hyperfine interaction indicates that, in frozen CH2Cl2/THF, the phosphine and phosphite complexes have (2)A' and (2)A '' ground states, respectively. The hyperfine anisotropy can be accounted for by dipolar interaction of the P-31 nucleus with spin density on Cr and, in the case of the phosphite complexes, with similar to 0.01 P 3p(y) spin density resulting from pi-backbonding. Line width anomalies observed in EPR spectra of these and other Cr(I) and Mn(II) ''piano stool'' complexes can be understood in terms of molecular distortions resulting from solvation in frozen solutions.