(η(2)-benzene)Cr(CO)5 | 83510-95-6

• 英文名称: (η(2)-benzene)Cr(CO)5
• 英文别名: Cr(carbonyl)5(η2-benzene)；(η(2)-C6H6)Cr(CO)5；Cr(CO)5(η2-benzene)；[Cr(CO)5(η2-C6H6)]
• CAS: 83510-95-6
• 化学式: C₁₁H₆CrO₅
• 分子量: 270.162
• InChiKey: NUFHAOKOUXQNNL-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

• 作为反应物：
  描述：

  (η(2)-benzene)Cr(CO)5 在 吡啶 作用下， 以 苯 为溶剂， 生成 pentacarbonyl(pyridine)chromium(0)
  参考文献：
  名称：

  Zhang, Shulin; Dobson, Gerard R.; Zang, Volker, Inorganic Chemistry, 1990, vol. 29, # 18, p. 3477 - 3482

  摘要：

  DOI：
• 作为产物：
  描述：

  pentacarbonylchromium(0) 在 苯 作用下， 以 gaseous matrix 为溶剂， 生成 (η(2)-benzene)Cr(CO)5
  参考文献：
  名称：

  苯与VIB族五羰基金属和四羰基金属气相反应的时间分辨IR研究

  摘要：

  The gas-phase reactions of benzene and deuterated benzene (benzene-d(6)) with group VIB metal pentacarbonyls M(CO)(5) (M = Cr and W) and tetracarbonyl W(CO)(4) were probed with time-resolved infrared spectroscopy. Benzene reacts with M(CO)(5) forming presumably (eta(2)-benzene)M(CO)(5) in which benzene coordinates to the metal via an isolated double bond. The rate constants for reactions of C6H6 and C6D6 with Cr(CO)5 were found to be (3.0 +/- 0.7) and (3.3 +/- 0.2) x 10(13) cm(3) mol(-1) s(-1), respectively. The corresponding values with W(CO)(5) are (2.8 +/- 0.4) and (3.5 +/- 0.6) x 10(13) cm(3) mol(-1) s(-1). From the temperature dependence of rate of dissociative loss of benzene from (eta(2)-benzene)Cr(CO)(5), a bond dissociation energy of 9.2 +/- 0.8 kcal mol(-1) was determined for (eta(2)-benzene)Cr(CO)(5). The lower limit for bond dissociation energy for loss of the benzene ligand from (eta(2)-benzene)W(CO)(5) was estimated to be 11.7 kcal mol(-1). Benzene reacts with W(CO)(4) producing a species, presumably (eta(2)-benzene)W(CO)(4), which is stable in the millisecond time scale. The rate constants for reactions of C6H6 and C6D6 With W(CO)(4) were determined to be (3.5 +/- 0.2) and (4.1 +/- 0.4) x 10(13) cm(3) mol(-1) s(-1) respectively. Secondary addition of CO to (eta(2)-benzene)W(CO)(4) forms (eta(2)-benzene)W(CO)(5), and the rate constants are (9.4 +/- 0.9) and (8.7 +/- 1.0) X 10(11) cm(3) mol(-1) s(-1), respectively, for additions of CO to (eta(2)-C6H6)W(CO)(4) and (eta(2)-C6D6)W(CO)(4).

  DOI：

  10.1021/j100148a013

文献信息

• Infrared spectroscopy of excited states and transients in photochemistry
  作者：Kurt Schaffner、Friedrich-Wilhelm Grevels

  DOI：10.1016/0022-2860(88)80042-5

  日期：1988.1

  Abstract Flash photolysis with time-resolved IR detection is used in investigations of the primary photoreactions of chromium, molybdenum, tungsten, manganese, iron, and osmium carbonyl complexes, and of the ensuing transformations of transient products in room temperature solution. The method bridges the gap to spectral data obtained at low temperatures. It provides information which has previously

  摘要 具有时间分辨 IR 检测的闪光光解用于研究铬、钼、钨、锰、铁和锇羰基配合物的初级光反应，以及随后在室温溶液中瞬态产物的转化。该方法弥补了低温下获得的光谱数据的差距。它提供了以前无法获得的信息，例如详细的结构信息，以及在感兴趣物种的紫外-可见吸收重叠的情况下的动力学数据。最后，激发态红外光谱现在对于许多有机化合物变得可行，最新的仪器设置达到 ≥ 50 ns 的时间分辨率。
• Flash photolysis with infrared detection. The photochemistry and secondary thermal reactions of M(CO)6 [M = Cr, Mo, and W]
  作者：Horst Hermann、Friedrich Wilhelm Grevels、Andreas Henne、Kurt Schaffner

  DOI：10.1021/j100223a019

  日期：1982.12
• A laser flash photolysis study of photochemical carbonyl substitution in M(CO)6 (M = Cr, Mo, W) with 1,10-phenanthroline
  作者：Shigero Oishi

  DOI：10.1021/om00096a001

  日期：1988.6