Cr(CO)5(1,4-diisopropyl-1,4-diazabutadiene) | 100366-50-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Cr(CO)5(1,4-diisopropyl-1,4-diazabutadiene)
• CAS: 100366-50-5
• 化学式: C₁₃H₁₆CrN₂O₅
• 分子量: 332.276
• InChiKey: RKORLJKROYUOHE-UHFFFAOYSA-N

计算性质

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

• 作为反应物：
  描述：

  Cr(CO)5(1,4-diisopropyl-1,4-diazabutadiene) 以 甲苯 为溶剂， 生成 Cr(CO)4(1,4-diisopropyl-1,4-diazabutadiene)
  参考文献：
  名称：

  Reddy, K. Bal; Van Eldik, Organometallics, 1990, vol. 9, # 5, p. 1418 - 1421

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N'-二异丙基乙烷-1,2-二亚胺 、 六羰基铬 以 甲苯 为溶剂， 生成 Cr(CO)5(1,4-diisopropyl-1,4-diazabutadiene)
  参考文献：
  名称：

  Reddy, K. Bal; Van Eldik, Organometallics, 1990, vol. 9, # 5, p. 1418 - 1421

  摘要：

  DOI：

文献信息

• Pentacarbonyl(1,4-diisopropyl-1,4-diazabutadiene)chromium: Isolation and Reactivity of the Monodentate Intermediate en Route to Cr(CO)4(iprop-DAB) Chelate Ring Closure
  作者：Friedrich-Wilhelm Grevels、Ceyhan Kayran、Saim Ozkar

  DOI：10.1021/om00020a008

  日期：1994.8

  Exchange of the olefin ligand in Cr(CO)5(eta2-(Z)-cyclooctene) by 1,4-diisopropyl-1,4-diazabutadiene (iprop-DAB) yields Cr(CO)5(iprop-DAB) (1), where the potentially bidentate DAB ligand coordinates in a monodentate fashion. Complex 1 is isolated as red crystals and fully characterized (elemental analysis, IR, UV-vis, H-1 NMR and C-13 NMR spectra). In hydrocarbon solution at ambient temperature it decays via two competitive routes involving (a) chelate ring closure with CO extrusion to form Cr(CO)4(iprop-DAB) (2) and (b) loss of the iprop-DAB ligand and takeup of CO to form Cr(CO)6, as monitored by means of NMR, UV-vis, and IR spectroscopy. Favorable conditions for the chelate ring closure leading to 2 are the high concentration of 1, the presence of added iprop-DAB, and the absence of CO, while the opposite is true for the formation of Cr(CO)6. The decay of 1 is retarded in the presence of increasing amounts of added iprop-DAB. It essentially follows pseudo-first-order kinetics with k(obs) approaching a lower limiting value of 2.7 x 10(-5) s-1 under Ar at 23-degrees-C, whereby Cr(CO)4(iprop-DAB) (2) and Cr(CO)6 are formed in a ca. 20:1 ratio. Experiments at variable temperature yield DELTAH(double dagger) = 48 +/- 6 kJ mol-1 and DELTAS(double dagger) = -170 +/- 18 J K-1 mol-1. In the presence of added CO or (E)-cyclooctene (ECO) the decay of 1 is accelerated, whereby additional Cr(CO)6 or Cr(CO)5(eta2-ECO) are formed at the expense of Cr(CO)4(iprop-DAB) (2) production. Complementary studies involving continuous irradiation of Cr(CO)6 and iprop-DAB indicate that photogenerated 1 subsequently undergoes photolytic CO dissociation with formation of 2 in addition to the thermal chelate ring closure.
• Reddy, K. Bal; Van Eldik, Organometallics, 1990, vol. 9, # 5, p. 1418 - 1421
  作者：Reddy, K. Bal、Van Eldik

  DOI：——

  日期：——