(OC)4Re=Re(CO)5 | 109687-57-2

• 英文名称: (OC)4Re=Re(CO)5
• CAS: 109687-57-2
• 化学式: C₉O₉Re₂
• 分子量: 624.508
• InChiKey: XFJLFDHGQRESBF-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：

  (OC)4Re=Re(CO)5 在 一氧化碳 作用下， 以 solid matrix 为溶剂， 生成 十羰基二铼
  参考文献：
  名称：

  Firth, Stephen; Hodges, P. Michael; Poliakoff, Martyn, Inorganic Chemistry, 1986, vol. 25, # 25, p. 4608 - 4610

  摘要：

  DOI：
• 作为产物：
  描述：

  十羰基二铼 以 solid matrix 为溶剂， 生成 (OC)4Re=Re(CO)5
  参考文献：
  名称：

  铼羰基和二氮配合物：通过基质分离光化学和金属原子合成鉴定中间体

  摘要：

  摘要 单核和双核铼物种是通过在惰性和反应性基质中辐照 Re 2 (CO) 10 以及通过铼原子与预期配体（N 2 、O 2 、13 CO、C 2 H 4 、H 2 O)。实验条件的细微差异会产生令人惊讶的结果。因此，例如，在固体N 2 基质中观察到“裸”铼原子，其仅在光活化时反应形成Re(N 2 ) 5 。Re 2 (CO) 10 在惰性基质中的短波长照射产生赤道空的eq-Re 2 (CO) 9 ，其在546 nm 照射下异构化为ax-Re 2 (CO) 9 。在纯 N 2 中退火将 eq-Re 2 (CO) 9 转化为 eq-Re 2 (CO) 9 (N 2 )，而 10 K 下的 546 nm 光解产生 ax-Re 2 (CO) 9 (N 2 )。在氩稀释的乙烯基质中，可以识别 eq-Re 2 (CO) 9 (C 2 H 4 )。

  DOI：

  10.1016/0022-2860(88)80125-x

文献信息

• Laser photolysis study of dirhenium decacarbonyl: evidence for a nonradical primary process
  作者：Katsutoshi Yasufuku、Hisanao Noda、Junichi Iwai、Hiroyuki Ohtani、Mikio Hoshino、Takayoshi Kobayashi

  DOI：10.1021/om00131a019

  日期：1985.12
• Flash photolysis study of the metal-metal bond homolysis in dimanganese decacarbonyl and dirhenium decacarbonyl
  作者：R. W. Wegman、R. J. Olsen、D. R. Gard、L. R. Faulkner、Theodore L. Brown

  DOI：10.1021/ja00410a017

  日期：1981.10
• Firth, Stephen; Klotzbücher, Werner E.; Poliakoff, Martyn, Inorganic Chemistry, 1987, vol. 26, # 20, p. 3370 - 3375
  作者：Firth, Stephen、Klotzbücher, Werner E.、Poliakoff, Martyn、Turner, James J.

  DOI：——

  日期：——
• Femtosecond Infrared Study of the Dynamics of Solvation and Solvent Caging
  作者：Haw Yang、Preston T. Snee、Kenneth T. Kotz、Christine K. Payne、Charles B. Harris

  DOI：10.1021/ja003344y

  日期：2001.5.1

  The ultrafast reaction dynamics following 295-nm photodissociation of Re-2(CO)(10) were studied experimentally with 300-fs time resolution in the reactive, strongly coordinating CCl4? solution and in the inert. weakly coordinating hexane solution. Density-functional theoretical (DFT) and ab initio calculations were used to further characterize the transient intermediates seen in the experiments. It was found that the quantum yield of the Re-Re bond dissociation is governed by geminate recombination on two time scales in CCl4, similar to 50 and similar to 500 ps. The recombination dynamics are discussed in terms of solvent caging in which the geminate Re(CO)(5) pair has a low probability to escape the first solvent shell in the first few picoseconds after femtosecond photolysis. The other photofragmentation channel resulted in the equatorially solvated dirhenium nonacarbonyl eq-Re-2(CO)(9)(solvent). Theoretical calculations indicated that a structural reorganization energy cost on the order of 6-7 kcal/mol might be required for the unsolvated nonacarbonyl to coordinate to a solvent molecule. These results suggest that for Re(CO)(5) the solvent can be treated as a viscous continuum, whereas for the Re-2(CO)(9) the solvent is best described in molecular terms.