{(η5-C5H5)2Mo(SEt)2} | 37328-23-7

• 英文名称: {(η5-C5H5)2Mo(SEt)2}
• CAS: 37328-23-7
• 化学式: C₁₄H₂₀MoS₂
• 分子量: 348.385
• InChiKey: HVMPPRXSIRXGLZ-UHFFFAOYSA-L

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：

  bis(η5-cyclopentadinyl)dihydridomolybdenum 、 {(η5-C5H5)2Mo(SEt)2} 以 四氢呋喃 为溶剂， 以72%的产率得到{(η5-C5H5)2Mo(H)SEt}
  参考文献：
  名称：

  Silavwe, Ned D.; Bruce, Mitchell R. M.; Philbin, Cecelia E., Inorganic Chemistry, 1988, vol. 27, # 25, p. 4669 - 4676

  摘要：

  DOI：
• 作为产物：
  描述：

  二氯二茂钼 、 乙硫醇 以 重水 为溶剂， 生成 {(η5-C5H5)2Mo(SEt)2}
  参考文献：
  名称：

  Degradation of a VX Analogue: First Organometallic Reagent To Promote Phosphonothioate Hydrolysis Through Selective P−S Bond Scission

  摘要：

  We report the first case of a metal complex that degrades a neurotoxin mimic under extremely mild conditions (pH 6.8, room temperature). The metallocene bis(eta(5)-cyclopentadienyl)molybdenum(IV) dichloride (Cp(2)MoCl(2); Cp = eta(5)-C(5)H(5)) efficiently hydrolyzes the compound O,S-diethyl phenylphosphonothioate (DEPP), whose core functional group mimics the neurotoxin VX Moreover, this is one of the few examples where phosphonothioate degradation yields exclusively the desired P-S bond scission under mild aqueous conditions (pH 7.2, 30 degrees C). Activation parameters for DEPP hydrolysis by Cp(2)MoCl(2) in aqueous THF/acetone indicate (E(a) = 86 kJ/mol, Delta H(double dagger)= 83 kJ/mol, and Delta S(double dagger) = -10 J/(mol K)) an intramolecular hydrolytic process that goes through an ordered transition state. Alteration of the cyclopentadienyl ligand showed that ansa-Cp(2)MoCl(2) with enhanced Mo(IV) electrophilicity significantly decreased DEPP hydrolysis, while (CpMe)(2)MoCl(2) with increased Mo(IV) electron density had the opposite effect. These structure-activity relationships as well as the activation parameters indicate DEPP hydrolysis is achieved by nucleophilic attack of a Cp(2)Mo-bound hydroxide on the phosphonothioate.

  DOI：

  10.1021/om7012887

文献信息

• Bis-cyclopentadienyl molybdenum and tungsten compounds with mercury-transition metalmercury bonds. Part I. Chemical, spectroscopic and structural studies of halogeno- and thiolato-derivatives
  作者：M.M Kubicki、R Kergoat、J.E Guerchais、C Bois、P L'Haridon

  DOI：10.1016/s0020-1693(00)90499-7

  日期：1980.1

  Cp 2 MH 2 (M = Mo and W) react with HgX 2 (X = Cl, Br, I, SCN, OAc and CN) salts, giving insoluble compounds which have the general formula Cp 2 M(HgX) 2 ·xHgX 2 (I) (x = 0, 1 3 , 1 2 , 2 3 and 1). These compounds were characterized by using IR and, for some of them, Raman spectroscopy. Frequencies of Hg-X vibrations are discussed in the light of an ‘adduct type’ structure. MoHg and WHg bands are

  摘要Cp 2 MH 2（M = Mo和W）与HgX 2（X = Cl，Br，I，SCN，OAc和CN）盐反应，得到通式为Cp 2 M（HgX）2·xHgX的不溶化合物2（I）（x = 0、1 3，1 2，2 3和1）。这些化合物的特征是使用红外光谱仪（对于其中一些光谱仪采用拉曼光谱法）。Hg-X振动的频率根据“加合物类型”结构进行了讨论。在130-140 cm -1附近的Ramam光谱中检测到MoHg和WHg谱带。分离出中间体聚合化合物（Cp 2 MoHg）n（II），并通过红外光谱和晶胞参数进行表征。所有化合物（I）和（II）与硫醇盐反应生成非加合物：i）化合物Cp 2 M（HgSR）2（R = Me，Et，i Pr和n Pr）（III）可溶于有机溶剂和ii）不溶性化合物[Cp 2 MHg 2（SR）] X（X = Cl，Br）（IV）。X ＝ Cl的化合物（IV）也从（III）的氯
• Molecular structure, bonding, and reactions of Mo(η5-C5H5)2 derivatives containing phosphorus ligands. Crystal structures of [Mo(η5-C5H5)2H(PPh3)]I · 2O and [Mo(η5-C5H5)2(CH3)(PPh3)][PF6]
  作者：C.G. Azevedo、M.J. Calhorda、M.A.A.F. de C.T. Carrondo、A.R. Dias、V. Félix、C.C. Romão

  DOI：10.1016/0022-328x(90)85060-c

  日期：1990.8

  [Mo(η5-C5H5)2(PPh3)], prepared by deprotonation of [Mo(η5-C5H5)2H(PPh3)][PF6] with HCl, CH3I, (CH3)3SiCl and (C2H5)2S2 are described. Two of the complexes obtained have been characterized by single crystal X-ray diffraction studies, viz: [Mo(η2-C5H5)2H(PPh3)]I.1/2H2O (1a) and [Mo(η5-C5H5)2(CH3)(PPh3)][PF6] (3). In complex 1a, the MoH and MoP bond lengths are 1.74(8) and 2.501(4) Å, and the HMoP angle

  的氧化加成反应[沫（η 5 -C 5 H ^ 5）2（PPH 3）]，由[沫（η的去质子化制备5 -C 5 H ^ 5）2 H（PPH 3）] [PF 6 ]与描述了HCl，CH 3 I，（CH 3）3 SiCl和（C 2 H 5）2 S 2。复合物的两个获得的已表征通过单晶X射线衍射研究，即：[沫（η 2 -C 5 ħ 5）2H（PPH 3）] I.1 / 2H 2 O（1A）和[沫（η 5 -C 5 H ^ 5）2（CH 3）（PPH 3）] [PF 6 ]（3）。在复杂图1A中，MoH和MoP键长是1.74（8）和2.501（4），并且HMoP角是77（2）°，而在复杂的3所述MoC和MoP键长为2.269（7）和2.526（4）Å，CMoP角为84.1（2）°。
• Indium(III) thiolate-bridged molybdenocene complexes: crystal structure of [InCl2MoCp2(η-SEt)22][BPh4] · (CH3)2CO
  作者：M.A.A.F. de C.T. Carrondo、A.R. Dias、M. Helena Garcia、P. Matias、M. Fa´tima M. Piendade、Maria J. Villa de Brito

  DOI：10.1016/0022-328x(94)88042-5

  日期：1994.2
• Azevedo de, Cristina G.; Carrondo de C. T., M. Armenia A. F.; Dias, Alberto D., Journal of Organometallic Chemistry, 1993, vol. 445, p. 125 - 132
  作者：Azevedo de, Cristina G.、Carrondo de C. T., M. Armenia A. F.、Dias, Alberto D.、MArtins, Ana M.、Piedade, M. Fatima M.、Romao, Carlos C.

  DOI：——

  日期：——