(η5-cyclopentadienyl)Mo(μ-S)2(μ-SCH2-phenyl)2Mo(η5-cyclopentadienyl) | 719296-75-0

• 英文名称: (η5-cyclopentadienyl)Mo(μ-S)2(μ-SCH2-phenyl)2Mo(η5-cyclopentadienyl)
• 英文别名: [CpMo(μ-SBz)(μ-S)]2
• CAS: 719296-75-0；718597-38-7；943220-10-8
• 化学式: C₂₄H₂₄Mo₂S₄
• 分子量: 632.599
• InChiKey: KDXMAALKYWIHBK-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  [CpMo(CO)(μ-SBz)]2(μ-S) 以 甲苯 为溶剂， 以25%的产率得到(η5-cyclopentadienyl)Mo(μ-S)2(μ-SCH2-phenyl)2Mo(η5-cyclopentadienyl)
  参考文献：
  名称：

  Desulfurization of bibenzyl trisulfide by [CpMo(CO)3]2: Formation and isolation of thiolato-bridged dimolybdenum complexes of [CpMo(CO)2(SBz)]2, [CpMo(CO)(SBz)]2S and [CpMo(SBz)S]2 (Cp=(η5-C5H5), Bz=PhCH2–). Crystal structures of two polymorphs of [CpMo(SBz)S]2

  摘要：

  The reaction of [CpMo(CO)(3)](2) (1) with a molar equivalent of Bz(2)S(3) at 60 degrees C for 3.5 h has led to the isolation of [CpMo(CO)(2)(SBz)](2) (2), [CpMo(CO)(SBz)](2)S (3) and [CpMo(SBz)S](2) (4) in 16.9%, 3.1% and 61.1% yields, respectively, as main products. Thermolytic studies showed that 2 underwent stepwise decarbonylation to give 3 and 4. All the three products of 2, 3 and 4 were thiolato-bridged dimolybdenum complexes with bond orders of zero, one and two for 2, 3 and 4, respectively. In addition, both 3 and 4 have one and two S atoms bridged in a mu-eta(2)-mode, respectively. The structures of 2 and 3 have been reported previously. The totally decarbonylated 4 was isolated as polymorphs, 4a and 4b, which have been characterized by elemental, spectral analyses and structurally determined. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.021

文献信息

• Isolation and characterization of thiolato complexes of [CpCr(SBz)]2S, isomeric trans [CpMo(CO)(SBz)]2 and [CpMo(SBz)2]2 (Cp = (η5-C5H5), Bz = PhCH2) from the reactivity of bibenzyl disulfide towards [CpM(CO)3]2 (M = Cr, Mo)
  作者：Mei Lee Ooi、Chu Er Lim、Richard C.S. Wong、Seik Weng Ng

  DOI：10.1016/j.ica.2017.08.029

  日期：2017.10

  Abstract The reactions of [CpM(CO) 3 ] 2 (M = Cr ( 1 ), Mo ( 3 )) with Bz 2 S 2 have been investigated. 1 underwent a facile reaction at ambient temperature which led to the isolation of [CpCr(CO) 2 ]S ( 5 ), [CpCr(CO) 2 (SBz)] 2 ( 6 ) and [CpCr(SBz)] 2 S ( 7 ) in 28.8, 42.6 and 11.8% yield, respectively. A similar reaction at 110 °C with its congener, [CpCr(CO) 2 ] 2 (Cr Cr) ( 2 ) yielded only thermolytic

  摘要研究了[CpM（CO）3] 2（M = Cr（1），Mo（3））与Bz 2 S 2的反应。1在环境温度下进行了简便反应，导致分离出[CpCr（CO）2] S（5），[CpCr（CO）2（SBz）] 2（6）和[CpCr（SBz）] 2 S（ 7）的收率分别为28.8、42.6和11.8％。在110°C下与类似物[CpCr（CO）2] 2（Cr Cr）（2）发生类似反应，仅生成5（40.3％）和Cp 4 Cr 4 S 4（8）（10.6％）的热解产物。 。使用Mo类似物3时，只有脱羰基的[CpMo（CO）2] 2（Mo Mo）（4）在70°C下反应，得到反式syn和抗[CpMo（CO）（SBz）] 2的异构体对（在图9a和9b）中，[CpMo（SBz）（S）] 2（10）和[CpMo（CO）（SBz）] 2 S（11）的产率分别为43.3％，34.1％，5.5％和3.1％。在33中获得了完全脱羰的[CpMo（SBz）2]
• Activation of the Sulfhydryl Group by Mo Centers:  Kinetics of Reaction of Benzyl Radical with a Binuclear Mo(μ-SH)Mo Complex and with Arene and Alkane Thiols
  作者：James A. Franz、Jerome C. Birnbaum、Douglas S. Kolwaite、John C. Linehan、Donald M. Camaioni、Michel Dupuis

  DOI：10.1021/ja049321r

  日期：2004.6.1

  error). The rate constant for hydrogen atom abstraction at 298 K by benzyl radical from 1 is 2 orders of magnitude greater than that from 1-octanethiol, resulting from the predicted (DFT) S-H bond strength of 1 of 73 kcal/mol. The radical CpMo(micro-S)(3)(micro-SH)MoCp, 2, is revealed, from the properties of slow self-reaction, and exclusive cross-combination with reactive benzyl radical, to be a persistent

  本文提供了动力学实验和电子结构计算的证据，表明均相催化剂模型 CpMo(micro-S)(2)(micro-SH)(2) 中 Mo(micro-SH)Mo 函数中的 SH 键强度显着降低)MoCp (1, Cp = eta(5)-环戊二烯基)。通过确定苄基从 1 中提取氢原子的速率表达式来探索 1 的反应性 (log(k(abs)/M(-)(1) s(-)(1)) = (9.07 +/- 0.38) - (3.62 +/- 0.58)/theta) 用于与 CH(3)(CH(2))(7)SH, log(k(abs)/M(-)(1) s(-) 的表达式进行比较)(1)) = (7.88 +/- 0.35) - (4.64 +/- 0.54)/theta，对于 2-巯基萘，log(k(abs)/M(-)(1) s(-)(1) )) = (8.21 +/- 0.17) - (4.24 +/- 0