[(C5Me5)2Nb(η(2)-S2)H] | 166770-49-6

• 英文名称: [(C5Me5)2Nb(η(2)-S2)H]
• 英文别名: (C5Me5)2Nb(μ2-S)H
• CAS: 166770-49-6
• 化学式: C₂₀H₃₁NbS₂
• 分子量: 428.505
• InChiKey: CDKITGMHPODQCK-UHFFFAOYSA-N

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：

  [(C5Me5)2Nb(η(2)-S2)H] 、 molybdenum hexacarbonyl 以 甲苯 为溶剂， 以15%的产率得到
  参考文献：
  名称：

  Syntheses and properties of tetrathio- and tetraseleno metalates [(C5Me4R)2NbE2]2M (E=S, Se; M=Cr, Mo; R=Me, Et) with peripheric niobocene ligands

  摘要：

  Reactions of Cp-2*Nb(eta(2)-S-2)H 1 (Cp* = C5Me5 (a), C5Me4Et (b)) and Cp-2*Nb(eta(2)-Se2H) 3 with 0.5 equivalents of M(CO)(6) (M = Cr, Mo) in boiling toluene give the CO free complexes [Cp-2*NbE2](2)M 4-7. X-ray diffraction analyses have been carried out for the Mo complexes 5a (E = S) and 7a (E = Se) showing that the structures contain ME4 tetrahedral cores with two attached niobocene ligands thus forming a nearly linear trimetallic unit. Absorption spectra and electrochemical studies of complexes 4-7 are described. Characteristic of the novel CrSe4 chromophor are four reversible one electron redox steps. Chemical oxidation of 4a and 5a with [(C5H5)(2)Fe]PF6 gives the salts {[Cp-2*NbS2](2)M}PF6 (M = Cr, Mo) 10 and 11. A qualitative EHMO analysis provides evidence for a strong delocalisation of electron density over the whole metal-ligand system. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00615-9
• 作为产物：
  描述：

  1,2,3,4,5,6,7,8-八硫杂环辛烷 、 (η(5)-C5Me5)2NbCl2 在 sodium amalgam 作用下， 以 四氢呋喃 为溶剂， 生成 、 [(C5Me5)2Nb(η(2)-S2)H] 、 、
  参考文献：
  名称：

  通过与硫反应以黄酮形式存在过烷基化的铌茂金属的化学证据

  摘要：

  完全还原的Cp 2 * NbCl 2（CP * =η 5 -C 5我5）溶液（NaHg两个equipvalents），其先前应该包含两种异构体甲和乙decamethylniobocene与硫反应以得到产物1-4。他们的1 H和13 C NMR光谱学研究首次使A和B的结构清晰可见。由于1和2与先前报告的Cp * 2 Nb（η-S2）L衍生物（L = H（1），SH（2））是异构体A的弯曲新世纪结构。产品3和4是在与涉及η结构协议1：η 5 -tetramethylfulvene配体，其中的情况下，4略微被硫插入修改为CH 2 Nb键。因此，异构体B的结构可以通过从一个CH 3基团向Nb的氢化物迁移而由弯曲的铌茂金属衍生。

  DOI：

  10.1016/0022-328x(95)05346-q

文献信息

• Synthesis and characterisation of [(C5Me4R)2NbS2]2M complexes (M = Fe, Co; R = Me, Et) : organometallic tetrathiometalates with niobocene ligands
  作者：Henri Brunner、Marek M. Kubicki、Günther Gehart、Erwin Lehrl、Dominique Lucas、Walter Meier、Yves Mugnier、Bernd Nuber、Bernhard Stubenhofer、Joachim Wachter

  DOI：10.1016/0022-328x(95)05930-n

  日期：1996.3

  Irradiation of Cp(2)* Nb(eta(2)-S-2)H (Cp* = C(5)Me(5)) la in the presence of Fe(CO)(5) gives the CO-free complex [Cp(2)* NbS2](2) Fe 2a. The core of 2a contains an FeS4 tetrahedron which is ligated by two niobocene ligands as shown by X-ray diffraction analysis. In the reaction of la or Cp(2)(x) Nb(eta(2)-S-2)H (Cp(x) = C(5)Me(4)Et) 1b with Co-2(CO)(8), compounds 3a and 3b of the same type are formed. Electrochemical studies of 2a and 3a,b show that they undergo three reversible le(-) steps. The oxidation of 3b exerts a considerable influence on its absorption spectrum. A qualitative EHMO analysis is in agreement with a strong delocalisation of electron density over the whole NbS(2)MS(2)Nb system.