bis(1,3,5-trimethylbenzene)niobium(0) | 68088-96-0

• 物质功能分类: 有机原料 - 有机金属盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(1,3,5-trimethylbenzene)niobium(0)
• 英文别名: [Nb(η⁶-C₆H₃Me₃)₂]；bis(η6-1,3,5-trimethylbenzene)niobium(0)；bis(η(6)-mesitylene)niobium；Nb(η6-Me3C6H3)2；Nb(η6-1,3,5-Me3C6H3)2；Niobium;1,3,5-trimethylbenzene
• CAS: 68088-96-0
• 化学式: C₁₈H₂₄Nb
• 分子量: 333.295
• InChiKey: CQGJETXTIMSFSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  bis(1,3,5-trimethylbenzene)niobium(0) 在 CO 作用下， 以 正庚烷 为溶剂， 以67%的产率得到
  参考文献：
  名称：

  Synthesis and reactivity of η6-arene derivatives of niobium(II), niobium(I), and niobium(O)

  摘要：

  The primary reduction products in the Al/AlX3/NbX5/arene system, namely Nb(eta-6-arene)(AlX4)2, X = Cl, arene = benzene, hexamethylbenzene; X = Br, arene = hexamethylbenzene, have been isolated. Tetrahydrofuran at room temperature reacts with Nb(eta-6-hexamethylbenzene)(AlBr4)2, to give the aluminium-free complex Nb2(eta-6-hexamethylbenzene)2Br4, whose crystal structure was determined by X-ray diffraction methods. In the presence of tetrahydrofuran or dimethoxyethane, the eta-6-mesitylene-tetrahaloaluminato complexes are further reduced by aluminium to bis-mesityleneniobium(0), Nb(mes)2, which undergoes: a) disproportionation with CO to [Nb(mes)2(CO)]+[Nb(CO)6]-, b) oxidation by V(CO)6 or (4,4'-dimethyl-2,2'-dipyridyl)(BPh4)2 under carbon monoxide to [Nb(mes)2(CO)]X, X = [V(CO)6]- or BPh4-. The structure of [Nb(mes)2(CO)] BPh4 has been determined by X-ray diffraction methods. In the presence of CO, Nb(mes)2 is reduced by CoCp*2 [Cp* = eta-5-C5(CH3)5] to [Nb(CO)6]-, which was isolated as its CoCp*2+ derivative; it efficiently deoxygenates CO2 to CO in the presence of carbon monoxide acceptors such as the [Nb(mes)2(THF)]+ cation.

  DOI：

  10.1016/0022-328x(91)80041-h
• 作为产物：
  描述：

  均三甲苯 生成 bis(1,3,5-trimethylbenzene)niobium(0)
  参考文献：
  名称：

  GREEN M. L. H., J. ORGANOMETAL. CHEM., 1980, 200, NO 1, 119-132

  摘要：

  DOI：

文献信息

• Redox reactions with bis(η6-arene) derivatives of early transition metals
  作者：Fausto Calderazzo、Ulli Englert、Guido Pampaloni、Manuel Volpe

  DOI：10.1016/j.jorganchem.2005.03.064

  日期：2005.7

  The reactivity of M(η6-arene)2 derivatives of early transition metals (M = Ti, Cr, Mo, arene = MeC6H5; M = V, Nb, arene = 1,3,5-Me3C6H3) has been investigated and the syntheses of new and known compounds are described. The derivatives M(CH3COO)3, M = Ti, V, Nb, Cr; M(CF3COO)3, M = Ti, Nb, Cr; M(acac)3, M = Ti, V, Mo, acac = acetylacetonato, and M(F6acac)3, F6acac = hexafluoroacetylacetonato, M = V

  M的反应性（η 6 -arene）2个早过渡金属（M =钛，铬，钼的衍生物，芳烃=的MeC 6 H ^ 5 ; M = V，Nb的，芳烃= 1,3,5-ME 3 Ç 6已经研究了H 3），并描述了新的和已知化合物的合成。导数M（CH 3 COO）3，M ＝ Ti，V，Nb，Cr； M ＝CH 。M（CF 3 COO）3，M ＝ Ti，Nb，Cr； M ＝ Ti，Nb，Cr。M（acac）3，M = Ti，V，Mo，acac =乙酰丙酮，M（F 6 acac）3，F 6acac =六氟乙酰丙酮，M = V，Nb是通过金属双（芳烃）衍生物与适当的路易斯酸反应制得的。V（F 6 acac）3的晶体和分子结构已经确定。卤化氢或卤素与M（η反应6 -arene）2与形成的，的VCl的高度反应性的形式的金属卤化物3从V而获得（η 6 -1,3,5--ME 3 Ç 6 ħ 3）2和庚烷中的氯化氢。的TiCl
• Reactivity of bis(η6-arene) derivatives of titanium, vanadium and niobium with fulvenes bearing electron-withdrawing substituents
  作者：Lucia Calucci、Ulli Englert、Guido Pampaloni、Calogero Pinzino、Manuel Volpe

  DOI：10.1016/j.jorganchem.2005.07.093

  日期：2005.11

  general formula M(O,O′-anion)3, where the metal is in the +III oxidation state, have been isolated for titanium and niobium. In the case of vanadium, different compounds have been obtained depending on the fulvene and the reaction conditions. In particular, solvated derivatives of vanadium(II) of general formula V(O,O′-anion)2(THF)2 have been prepared in THF whereas V(O,O′-anion)2 complexes have been

  M的反应（η 6 -arene）2（M =的Ti，芳烃=的MeC 6 H ^ 5 ; M = V，Nb的，芳烃= 1,3,5-ME 3 Ç 6 ħ 3）用“pentacarbomethoxycyclopentadiene”（pcmcpH ），1-苯甲酰基-6-羟基-6-苯基富勒烯（dbcpH）和1-苯甲酰基-3-硝基-6-羟基-6-苯基富勒烯（dbncpH）随着二氢的析出和金属的氧化反应而发生配位分别包含O，O '配位的环戊二烯基阴离子的化合物，即[pcmcp] -，[dbcp] -和[dbncp] -。通式M的复合物（ø，ö ' -阴离子）图3中的金属处于+ III氧化态，已分离出钛和铌。在钒的情况下，取决于叶黄酮和反应条件，已经获得了不同的化合物。在通式V（钒（II）的特定，溶剂化衍生物ø，ö ' -阴离子）2（THF）2已在THF制备而V（ø，ö ' -阴离子）2种配合物的甲苯溶液被分离甚至在过量富勒烯存在的情况下。
• Redox reactions of vanadium(0) and niobium(0) bis(mesitylene) (mes) derivatives with metal carbonyl halides of Group 7. The crystal and molecular structure of [mes(CO)2Nb(μ-I)2Re(CO)3], a metal-metal bonded heterobimetallic complex
  作者：Fausto Calderazzo、Giuseppe Egidio De Benedetto、Guido Pampaloni、Lucia Rocchi、Ulli Englert

  DOI：10.1016/0022-328x(93)83383-7

  日期：1993.12

   V or Nb) with [MX(CO)5] (M  Mn, X  Cl, Br, or I; M  Re, X  Br or I) leading to oxidation of the organometallic of Group 5 have been investigated. The crystal structure of [mes(CO)2Nb(μ-I)2Re(CO)3] 1b, has been solved by X-ray diffraction methods; the organometallic derivative can best be described as containing rhenium(0) and niobium(II) centres of d7 and d3 configurations, respectively, with

  的氧化还原反应[M（η 6 -1,3,5--ME 3 Ç 6 ħ 3）2 ]，[促膝2 ]，（MV或Nb）的用[MX（CO）5 ]（M的Mn，已经研究了X 5 Cl，Br或I； M 3 Re，X 18 Br或I）导致第5族有机金属氧化的情况。[mes（CO）2 Nb（μ-I）2 Re（CO）3 ] 1b的晶体结构已通过X射线衍射法解析；最好将有机金属衍生物描述为包含d 7和d 3构型的rh（0）和铌（II）中心，Nb-Re距离（平均）为2.921（4）。
• Synthesis, structure and bonding in Nb2(ν6-mesitylene)2(μ-I)4 and a new intermediate-valent dinuclear niobium complex, [Nb2(ν6-mesitylene)2(μ-I)4]I
  作者：Myungok Yoon、Jianhua Lin、Victor G. Young、Gordon J. Miller

  DOI：10.1016/0022-328x(95)05696-m

  日期：1996.1

  intermediate-valent dinuclear complex [Nb2(η6-mes)2(μ-I)4]I (3) was prepared from oxidation of 2 with iodine. The powder EPR spectrum of 3 is discussed. while magnetic studies of 3 exhibit Curie-Weiss paramagnetic behavior at temperatures above 100 K with μeff = 1.77 BM.1 Crystal data: 2, C18H24I4Nb2, monoclinic, , Z = 2, and dcalcd = 2.71 g cm−3; 3, C18H24I5Nb2, monoclinic, , V = 2537.1(9) A3, Z = 4, and dcalcd =

  由碘与四氢呋喃中的碘反应合成，并经NMR，IR，UV-vis光谱和单晶X射线衍射表征。在均三甲苯配位体2示出的非平面构象船，指示在-1,4-二烯方式，其通过分子轨道计算支持π电子密度的定位。然而，NMR光谱表明，即使在-62℃ ，2也经历了舟状构型的快速相互转化以及在溶液中的环旋转。配合物2的循环伏安图显示两个氧化还原波。一种新的中间价双核配合物[Nb的2（η 6 -Mes）2（μ -I）4 ] I（3）是由2用碘氧化制得的。讨论了3的粉末EPR光谱。而磁性研究3在温度高于100 K的居里表现出-魏斯顺磁性行为μ EFF = 1.77 BM.1晶体数据：2，C 18 H ^ 24我4的Nb 2，单斜，，Ž = 2，和d计算值= 2.71 g cm -3；3，C 18 H 24 I 5 Nb 2，单斜晶系，V = 2537.1（9）A3，Z = 4，d calcd = 2.78 g cm -3
• Synthesis of zerovalent bis(η-arene) compounds of zirconium, hafnium, niobium, tantalum, and tungsten using the metal vapours
  作者：F. Geoffrey N. Cloke、Malcolm L. H. Green

  DOI：10.1039/dt9810001938

  日期：——

  of the metals niobium, tantalum, and tungsten, derived from a positive hearth electron-gun furnace, with an excess of arenes gives the bis(η-arene) compounds [M(η-arene)2](M = Nb, Ta, or W). Similarly, zirconium and hafnium vapours with a mixture of arenes and trimethylphosphine give the bent bis(η-arene) compounds [M(η-arene)2(PMe3)](M = Zr and Hf). The bis(η-arene)tungsten compounds protonate readily

  将从正型炉膛电子枪炉中得到的铌，钽和钨金属蒸气与过量的芳烃共冷凝，得到双（η-芳烃）化合物[M（η-芳烃）2 ]（ M = Nb，Ta或W）。类似地，锆和vapor蒸气与芳烃和三甲基膦的混合物产生弯曲的双（η-芳烃）化合物[M（η-芳烃）2（PMe 3）]（M = Zr和Hf）。双（η-芳烃）钨化合物在稀酸水溶液中容易质子化，形成弯曲的双（η-芳烃）氢化阳离子[W（η-芳烃）2 H] [PF 6 ]。给出了新化合物的光谱性质和其他表征数据。