bis(η5-tert-butylcaclopentadienyl)dichloroniobium(IV) | 61374-53-6

• 英文名称: bis(η5-tert-butylcaclopentadienyl)dichloroniobium(IV)
• 英文别名: [NbCl2(η(5)-C5H4(t)Bu)2]
• CAS: 61374-53-6
• 化学式: C₁₈H₂₆Cl₂Nb
• 分子量: 406.217
• InChiKey: GMUNGJOQOPXBBL-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

• 作为反应物：
  描述：

  bis(η5-tert-butylcaclopentadienyl)dichloroniobium(IV) 、 disodium 2-oxo-1,3-dithiole-4,5-dithiolate 以 二氯甲烷 为溶剂， 以10%的产率得到bis(η-tert-butylcyclopentadienyl)(4,5-disulfanyl-1,3-dithiole-2-onato)niobium(IV)
  参考文献：
  名称：

  Magnetic properties and fluxional behaviour of heteroleptic cyclopentadienyl–dithiolene d¹and d⁰niobium complexes

  摘要：

  Paramagnetic d(1) niobium complexes of general formula [Nb(eta-C(5)H(4)R)(2)(dithiolene)] [R = SiMe(3) or Bu(t); dithiolene = C3S52- (4,5-disulfanyl-1,3-dithiole-2-thionate), C3OS42- (4,5-disulfanyl-1,3-dithiol-2-onate) or dddt(2-) (5,6-dihydro-1,4-dithiine-2,3-dithiolate)] have been prepared and their redox properties studied. The crystal structure determination of [Nb(eta-C(5)H(4)SiMe(3))(2)(C3S5)] showed that the folding angle of the NbS2C2 plane along the S-S axis is 34(2)degrees, an intermediate value compared with those of analogous d(0) (45-50 degrees) and d(2) (0-10 degrees) complexes, as rationalized by extended-Huckel calculations. The Curie-type temperature dependence of the spin susceptibility of [Nb(cp)(2)(C3S5)], [Nb(cp)(2)(C3OS4)] and [Nb(eta-C(5)H(4)R)(2)(C3S5)] (cp = eta-C5H5) demonstrates that the paramagnetic complexes do not interact with each other in the solid state. Cationic d(0) complexes were obtained either by chemical oxidation (tetracyanoquinodimethane) of the d(1) molecules or from the direct reaction of dddt(2-) with d(0) [Nb(eta-C(5)H(4)R)(2)Cl-2][PF6]. The fluxional behaviour of these d(0) complexes has been investigated by temperature-dependent NMR studies and shown to be comparable with that of isoelectronic d(0) [Ti(cp)(2)(dithiolene)] complexes.

  DOI：

  10.1039/dt9960004093
• 作为产物：
  描述：

  四氯双(四氢呋喃)合铌(IV) 、 Me2Sn(C5H4CMe3-1)2 以 甲苯 为溶剂， 以83%的产率得到bis(η5-tert-butylcaclopentadienyl)dichloroniobium(IV)
  参考文献：
  名称：

  新型锡桥ansa-双（环戊二烯）化合物的合成，结构表征和反应活性：Me 2 Sn（C 5 Me 4 R-1）2（R = H，SiMe 3）的X射线晶体结构

  摘要：

  的有机锡化合物中，Me 2的Sn（C 5 H ^ 4 R-1）2（R =我（1），PR我（2），卜吨（3），森达3（4））和Me 2 SN（通过使Me 2 SnCl 2与相应的环戊二烯的锂或钠衍生物反应来制备C 5 Me 4 R-1）2（R = H（5），SiMe 3（6））。化合物1 - 6已经通过多核NMR光谱法（1 H，13 C，119 Sn）表征。另外，通过单晶X射线衍射研究确定了5和6的分子结构。的转移金属化反应1 - 6用的ZrCl 4或[NbCl 4（THF）2 ]，得到相应的金属茂配合物以高产率。

  DOI：

  10.1016/j.jorganchem.2007.03.031

文献信息

• C–H activation and nitrile insertion reactions of a cationic niobium alkylidene complex
  作者：David J. Duncalf、Richard J. Harrison、Andrew McCamley、Bruce W. Royan

  DOI：10.1039/c39950002421

  日期：——

  Oxidation of [Nb(η5-C5H4But)2(CH2Ph)2] yields the stable cationic benzylidene complex [Nb(η5-C5H4But)2(CHPh)(thf)]BPh4, which readily loses thf to form the C–H activation product [Nb(η5-C4H4But)(η5:η1-C5H4CMe2CH2)(η2–CH2Ph)]BPh4 and reacts with acetonitrile to give the double-insertion product [Nb(η5-C5H4But)2η2-NC(Me)C(Ph)C(Me)NH}]BPh4.

  的氧化[Nb的（η 5 -C 5 H ^ 4卜吨）2（CH 2 PH）2 ]的产率稳定阳离子亚苄络合物[Nb的（η 5 -C 5 H ^ 4卜吨）2（CHPh配合）（THF）] BPH 4，容易失去THF以形成CH活化产物[Nb的（η 5 -C 4 H ^ 4卜吨）（η 5：η 1 -C 5 ħ 4 CME 2 CH 2）（η 2 -CH2 PH）] BPH 4，并用乙腈进行反应，得到双-插入产物[Nb的（η 5 -C 5 H ^ 4卜吨） 2 η 2 -NC（Me）的C（PH）C（Me）的NH}] BPh 4。
• Reactivity of niobocene dihalogenides toward nitroso derivatives. EPR and IR characterization of the first niobium(IV) complexes containing an ArNO-N,O ligand
  作者：D. Lucas、Y. Mugnier、A. Antiñolo、A. Otero、S. Garcia-Yuste、M. Fajardo

  DOI：10.1016/0022-328x(94)05196-i

  日期：1995.3

  The reaction of [Nb(η5-C5H4R)2X2] [] with nitroso derivatives ArNO [a: Ar = Ph; b: Ar = o-CH3-C3H4; c: Ar = p-(CH3)2NC6H4] yields paramagnetic complexes formulated as [Nb(η5-C5H4R)(η3-C5H4R)X2(ArNO-N,O) 1a, 1b, 1c, 2a, 3a, 4a and 4c, which have been characterized by ESR and IR spectroscopy.

  的反应[Nb的（η 5 -C 5 H ^ 4 R）2 X 2 ] [ ]与亚硝基衍生物ARNO [一个：Ar为Ph值; b：Ar ＝o- CH 3 -C 3 H 4；式中：Ar ＝o- CH 3 -C 3 H 4。Ç：Ar为p - （CH 3）2 NC 6 H ^ 4 ]的产率配制为[Nb的（η顺磁性络合物5 -C 5 H ^ 4 R）（η 3 -C 5 ħ 4 R）X 2（ArNO-N，O）1a，1b，1c，2a，3a，4a和4c，这些特征已通过ESR和IR光谱进行了表征。
• Synthese et etude de chlorotricyclopentadienylniobium(IV)
  作者：R. Broussier、J.D. Olivier、B. Gautheron

  DOI：10.1016/s0022-328x(00)84616-1

  日期：1981.7

  The action of cyclopentadienide anions on (Cp)2−n(RCp)nNbCl2 complexes (n = 2,1 or 0; R = C(CH3)3) is reported. In all cases, the formation of tricyclopentadienyl complexes, identified by ESR spectroscopy, is observed. Some tricyclopentadienyl species are able to be transformed by η1–η5 fluctuation. An example of a tricyclopentadienyl complex involving a stereochemical blocking is presented. By use

  环戊二烯阴离子对（CP）的动作2 - Ñ（RCP）ñ NbCl 2种复合物（Ñ = 2,1或0; R = C（CH 3）3）进行报告。在所有情况下，观察到通过ESR光谱法鉴定的三环戊二烯基络合物的形成。一些三环戊二烯物种能够通过η转化1 -η 5波动。给出了涉及立体化学封闭的三环戊二烯基络合物的实例。通过使用该中间体，选择性地合成了含有两个不同环的铌（IV）的二环戊二烯基衍生物。
• Bach, Hans-Jürgen; Brunner, Henri; Wachter, Joachim, Organometallics, 1992, vol. 11, # 3, p. 1403 - 1407
  作者：Bach, Hans-Jürgen、Brunner, Henri、Wachter, Joachim、Kubicki, Marek M.、Leblanc, Jean-Claude、Moise, Claude、Volpato, Florence、Nuber, Bernd、Ziegler, Manfred L.

  DOI：——

  日期：——
• Bis(η5-tert-butylcyclopentadienyl)dichloroniobium(IV)
  作者：A. McCamley、T. J. Miller、W. Clegg

  DOI：10.1107/s0108270193006961

  日期：1994.1.15

  The monomeric molecule of the title compound, [NbCl2-(C9H13)2], is best described as a paramagnetic pseudo-tetrahedral complex of niobium(IV). The two tert-butylcyclopentadienyl ligands are asymmetrically bound to the Nb atom [Nb-C bond-length range 2.394 (6)-2.470 (6) angstrom]. The asymmetry is accounted for in terms of the steric demand of the (t)Bu groups and Cl ligands. Pseudo-tetrahedral geometry is completed by two Cl ligands [Nb-Cl 2.477 (2) and 2.483 (2) angstrom, Cl-Nb-Cl 84.15 (6)-degrees].