benzene chromium carbonyl | 138334-01-7

• 英文名称: benzene chromium carbonyl
• 英文别名: (η6-C6H6)Cr(CO)；[Cr(CO)(η6-C6H6)]
• CAS: 138334-01-7
• 化学式: C₇H₆CrO
• 分子量: 158.12
• InChiKey: ZIRJXFLMHFXYGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  benzene chromium carbonyl 在 一氧化碳 作用下， 生成 [Cr(CO)2(η2-C6H6)]
  参考文献：
  名称：

  UV laser photolysis of (.eta.6-benzene)tricarbonylchromium: time-resolved infrared studies of gas-phase (.eta.6-C6H6)Cr(CO)x (x = 2 and 1)

  摘要：

  The time-resolved infrared absorption spectra of the coordinatively unsaturated (eta(6)-C6H6)Cr(CO)x (x = 2 and 1) species generated via UV laser photolysis of the gas-phase (eta(6)-C6H6)Cr(CO)3 are presented and discussed. The photofragments produced upon 355- and 266-nm photolysis are identified. (eta(6)-C6H6)Cr(CO)2 is the predominant product upon 355-nm photolysis, while both (eta(6)-C6H6)Cr(CO)2 and (eta(6)-C6H6)Cr(CO) are produced upon 266-nm photolysis with a ratio of (eta(6)-C6H6)Cr(CO)2;(eta(6)-C6H6)Cr(CO) of about 2:5. The rate constants for reactions of (eta(6)-C6H6)Cr(CO)2 and (eta(6)-C6H6)Cr(CO) with CO are measured and found to be (6.3 +/- 0.3) x 10(12) and (1.4 +/- 0.2) x 10(12) cm3 mol-1 s-1, respectively. The rate constant for reaction of (eta(6)-C6H6)Cr(CO)2 with CO lies between the corresponding values for spin-allowed and spin-disallowed reactions of other coordinatively unsaturated metal carbonyl species with CO.

  DOI：

  10.1021/j100182a047

文献信息

• Coordination of molecular nitrogen and hydrogen to (.eta.6-C6H6)Cr(CO)x and (.eta.5-C5H5)Mn(CO)x (x = 2 and 1) in the gas phase
  作者：Youfeng Zheng、Wenhua Wang、Jingu Lin、Yongbo She、Kejian Fu

  DOI：10.1021/j100203a045

  日期：1992.11

  Time-resolved infrared absorption spectroscopy is used to study the coordination reactions of N2 and H-2 with photolytically generated coordinatively unsaturated species (eta6-C6H6)Cr(CO)x and (eta5-C5H5)Mn(CO)x (x = 2 and 1) in the gas phase. Additions of N2 and H-2 to (eta6-C6H6)Cr(CO)2 and (eta5-C5H5)Mn(CO)2 form corresponding molecular nitrogen and hydrogen complexes. Additions of N2 and H-2 to (eta6-C6H6)Cr(CO) are confirmed although no product absorption is observed. By comparison, reactions of N2 and H-2 with (eta5-C5H5)Mn(CO) are not observed, presumably due to spectral overlap. The rate constants for reactions of N2 and H-2 With (eta6-C6H6)Cr(CO)2 and (eta5-C5H5)Mn(CO)2 as well as with (eta6-C6H6)Cr(CO) are measured, and an upper limit for the rate constants for reactions of N2 and H-2 with (eta5-C5H5)Mn(CO) is estimated. Significant differences are observed for the rate constants for reactions of different species and discussed with respect to spin-allowed versus disallowed processes.
• Arene-metal complexes. 12. Reaction of (.eta.6-benzene)tricarbonylchromium with n-butyllithium
  作者：Roger J. Card、Walter S. Trahanovsky

  DOI：10.1021/jo01301a001

  日期：1980.6
• Nayak, Suresh K.; Burkey, Theodore J., Organometallics, 1991, vol. 10, # 10, p. 3745 - 3750
  作者：Nayak, Suresh K.、Burkey, Theodore J.

  DOI：——

  日期：——