{Mo(CO)5(P(C6H4CH3-o)3)} | 36491-10-8

• 英文名称: {Mo(CO)5(P(C6H4CH3-o)3)}
• CAS: 36491-10-8
• 化学式: C₂₆H₂₁MoO₅P
• 分子量: 540.364
• InChiKey: KFMIGSJDGHAZKN-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：
  None
• 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：

  hexacarbonyl-bis(η5-methylcyclopentadienyl)dimolybdenum 、 三(邻甲基苯基)磷 以 环己烷 为溶剂， 生成 {Mo(CO)5(P(C6H4CH3-o)3)}
  参考文献：
  名称：

  双(.eta.5-环戊二烯基)二钼六羰基[(.eta.5-C5H5)2Mo2(CO)6]的低能光化学歧化反应机理

  摘要：

  歧化反应一般： (RCp) 2 Mo 2 (CO) 6 +2Lην(RCp)Mo(CO) 3 − +(RCp)Mo(CO) 2 L 2 + +CO (R=M ou CH 3 )。Effet important des proprietes du coordinat L sur la dismutation du complexe dinucleaire。机制。幽灵红外线

  DOI：

  10.1021/ja00357a012

文献信息

• Alyea, Elmer C.; Ferguson, George; Somogyvari, Arpad, Organometallics, 1983, vol. 2, # 5, p. 668 - 674
  作者：Alyea, Elmer C.、Ferguson, George、Somogyvari, Arpad

  DOI：——

  日期：——
• Structure and stereodynamics of [M(CO)5{P(C6H4Me-o)3}](M = Cr, Mo or W) and [Cr(CO)3{P(C6H4Me-o)3}]
  作者：James A. S. Howell、Paul C. Yates、Michael G. Palin、Patrick McArdle、Desmond Cunningham、Zeev Goldschmidt、Hugo E. Gottlieb、Daphna Hezroni-Langerman

  DOI：10.1039/dt9930002775

  日期：——

  The crystal structure of [Cr(CO)5P(C6H4Me-o)3}] has been determined. It reveals an exo2 conformation for the phosphine ligand, in agreement with molecular mechanics calculations. Barriers to P-C rotation in the series [M(CO)5P(C6H4Me-o)3}] (M = Cr, Mo or W) are in the range 36-42 kJ mol-1; restricted M-P rotation is also evident in the low-temperature (CO)-C-13 NMR spectrum of [Cr(CO)5P(CH4Me-o)3}]. The crystal structure of the pi complex [Cr(CO)3P(C6H4Me-o)}3] is most consistent with an electron-acceptor character for the P(C6H4Me-o)2 substituent. Crystal data: [Cr(CO)5P(CH4Me-o)3}], monoclinic, space group P2(1)/n, a = 10.774(2), b = 14.951 (5), c = 14.687(7) angstrom, beta = 91.45(2)-degrees, Z = 4, R' = 0.0980 for 209 variable parameters and 2326 observed reflections; [Cr(CO)3P(C6H4Me-o)3}], monoclinic, space group P2(1)/a, a = 16.725(2), b = 7.340(1), c = 17.675(4), beta = 92.66(2)-degrees, Z = 4, R' = 0.1187 for 263 variable parameters and 1848 observed reflections.