{(η2-benzene-d6)Cr(CO)5} | 152758-04-8

• 英文名称: {(η2-benzene-d6)Cr(CO)5}
• CAS: 152758-04-8
• 化学式: C₁₁H₆CrO₅
• 分子量: 276.114
• InChiKey: NUFHAOKOUXQNNL-KRIAGEGCSA-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：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  哌啶 、 {(η2-benzene-d6)Cr(CO)5} 以 氘代苯 为溶剂， 生成 (η1-piperidine) pentacarbonyl 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：

  六羰基铬 在 氘代苯 作用下， 以 氘代苯 为溶剂， 生成 {(η2-benzene-d6)Cr(CO)5}
  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：

文献信息

• Time-resolved IR study of gas-phase reactions of benzene with Group VIB metal pentacarbonyls and tetracarbonyls
  作者：Wenhua Wang、Youfeng Zheng、Jingu Lin、Yongbo She、Ke Jian Fu

  DOI：10.1021/j100148a013

  日期：1993.11

  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).