(η(5):η(5)-fulvalene)Mo2(CO)6(H)(I) | 168841-40-5

• 英文名称: (η(5):η(5)-fulvalene)Mo2(CO)6(H)(I)
• CAS: 168841-40-5
• 化学式: C₁₆H₉IMo₂O₆
• 分子量: 616.028
• InChiKey: CINSVKKDNNXVOC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为反应物：
  描述：

  四氯化碳 、 (η(5):η(5)-fulvalene)Mo2(CO)6(H)(I) 以 氘代甲苯 为溶剂， 生成 (η(5):η(5)-fulvalene)Mo2(CO)6(Cl)(I)
  参考文献：
  名称：

  新型膦取代的（富勒烯）二钼羰基氢化物和卤化物的合成与表征

  摘要：

  A number of (fulvalene)dimolybdenum carbonyl dihydrides and dihalides of the general formula FvMo(2)(CO)(4)L(2)X(2) (X = H, L = CO (1a), PPh(3) (1b), PMe(3) (1c); X = Cl, L = CO (2a), PPh(3) (2b), PCy(3) (Cy = cyclohexyl; 2c), PXy(3) (Xy = 3,5-dimethylphenyl; 2d); X = Br, L = CO (3a), PPh(3) (3b), PCy(3) (3c), PXy(3) (3d), PMe(3) (3e); X = I, L = CO (4a), PPh(3) (4b)) have been synthesized and characterized by IR and H-1, C-13{H-1}, and P-31{H-1} NMR spectroscopy and, where possible, by elemental analyses, Spectroscopic data suggest that 2b-d and 3b-e exist solely as cis,cis isomers in solution. cis,cis-4b was also identified but was found to easily transform into a mixture of cis,cis, cis,trans, and trans,trans isomers. Such an interconversion of Ib is fast on the NMR time scale at room temperature. The radical chain halogenation of la,b by activated alkyl halides was found to take place in two distinct steps, involving the intermediate formation of FvMo(2)(CO)(4)L(2)HX (L = CO, X = Cl (5a), Br (6a), I (7a); L = PPh(3), X = Cl (5b), Br (6b), I (7b)). By stepwise addition of different alkyl halides, the hydride-halo complexes 5a, 6a, and 7a were transformed into the mixed dihalides FVMo2(CO)(6)XY (X, Y = Cl, Br (8), Cl, I (9), and Br, I (10)). Mixed dihalides were formed alternatively in halide redistribution reactions between pairs of 2a, 3a, and 4a.

  DOI：

  10.1021/om00009a010