[(η(5)-C5Me5)Mo]2B5H9 | 188030-63-9

• 英文名称: [(η(5)-C5Me5)Mo]2B5H9
• 英文别名: (nonahydropentaborato)bis(pentamethylcyclopentadienyl)dimolybdenum；[((η5-C5Me5)Mo)2B5H9]；[(η⁵-C₅Me₅* Mo)₂B₅H₉]；[(Cp* Mo)₂B₅H₉]；nido-[((η5-C5Me5)molybdenum)2B5H9]；(η5-C5Me5Mo)2B5H9；[((Cp*)Mo)2B5H9]
• CAS: 188030-63-9
• 化学式: C₂₀H₃₉B₅Mo₂
• 分子量: 525.465
• InChiKey: FSTFTVLZVREWHW-UHFFFAOYSA-N

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：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  diiron nonacarbonyl 、 [(η(5)-C5Me5)Mo]2B5H9 以 甲苯 为溶剂， 以48%的产率得到[(η(5)-C5Me5)Mo]2B5H9Fe(CO)3
  参考文献：
  名称：

  Aldridge, Simon; Hashimoto, Hisako; Kawamura, Kazumori, Inorganic Chemistry, 1998, vol. 37, # 5, p. 928 - 940

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium octahydrotriborate 、 以 四氢呋喃 为溶剂， 以18%的产率得到[(η(5)-C5Me5)Mo]2B5H9
  参考文献：
  名称：

  八氢三硼酸盐配合物 Cp*V(B3H8)2 和 Cp*Cr(B3H8)2 以及不寻常的钴硼烷簇 Cp*2Co2(B6H14) 的合成和表征

  摘要：

  新化合物 CpV(B(3)H(8))(2)、CpCr(B(3)H(8))(2) 和 Cp(2)Co(2)(B(6)H(14) )) 是通过用 NaB(3)H(8) 处理五甲基环戊二烯基复合物 [CpVCl(2)](3)、[CpCrCl(2)](2) 和 [CpCoCl](2) 合成的。X 射线晶体学显示 CpV(B(3)H(8))(2) 和 CpCr(B(3)H(8))(2) 具有相同的配体组，但分子结构不同：钒化合物包含两个双齿 B(3)H(8) 配体（即通过两个邻位氢原子与金属中心结合），而铬化合物具有一个双齿 B(3)H(8) 配体和一个 B(3)H(8) ) 配体通过两个孪生氢原子以前所未有的方式结合。“宝石绑定”B(3)H(8) 基团本身具有非典型结构，由 BH(2)-BH(2)-BH(3) 三角形和一个额外的氢原子组成，桥接独特的 BH(2) -BH(2) 边。BB 距离在 1

  DOI：

  10.1021/ja063285+

文献信息

• Chemistry of Molybdaboranes: Synthesis, Structures, and Characterization of a New Class of Open-Cage Dimolybdaheteroborane Clusters
  作者：Rajendra Singh Dhayal、Kiran Kumar Varma Chakrahari、Babu Varghese、Shaikh M. Mobin、Sundargopal Ghosh

  DOI：10.1021/ic100520k

  日期：2010.9.6

  tBu); E = S, Se) yielded a new class of hybrid clusters, 3−8: (3, [(Cp*Mo)2(μ-η1-SPh)2(μ3-S)(H2BSPh)]; 4, [(Cp*Mo)2B5H8(SPh)]; 5, [(Cp*Mo)2B5H8(SePh)]; 6, [(Cp*Mo)2B2S2H2(μ-η1-S)]; 7, [(Cp*Mo)2B2H5(BSR)2(μ-η1-SR)], (R = 2,6-(tBu)2-C6H2OH); and 8, [(Cp*Mo)2B2H5(BSePh)2(μ-η1-SePh)]. Compounds 3−8 have been isolated in modest yields as green or brown crystalline solids. In parallel with 3−8, [(Cp*Mo)2B5H9]

  的[CP *代替MoCl的反应4 ]，1（CP * =η 5 -C 5我5）中，用[的LiBH 4 ·THF]在甲苯中在-70℃下，然后用过量二硫属化物的热解RE-ER（R = Ph，CH 2 Ph，2,6-（t Bu）2 -C 6 H 2 OH，（CH 3）3 C = t Bu）; E = S，Se）的产生一个新的类混合簇，3 - 8：（3，[（CP *沫）2（μ-η 1 -SPh）2（μ 3 -S）（H 2BSPh）]；4，[（CP * Mo）2 B 5 H 8（SPh）]；5，[（CP * Mo）2 B 5 H 8（SePh）]；6，[（CP * Mo）的2乙2小号2 ħ 2（μ-η 1 -S）]; 7，[（CP * Mo）的2乙2 ħ 5（BSR）2（μ-η 1 -SR）]，（R = 2,6-（吨丁基）2 -C 6 H ^ 2 OH）; 和8，[（CP * Mo）2 B2 ħ 5（BSePh）2（μ-η
• A close-packed boron-rich 11-vertex molybdaborane with novel geometry
  作者：Kiran Kumar Varma Chakrahari、Arunabha Thakur、Bijan Mondal、Rajendra Singh Dhayal、V. Ramkumar、Sundargopal Ghosh

  DOI：10.1016/j.jorganchem.2012.02.027

  日期：2012.7

  intermediate, generated from [Cp#MoCl4] [Cp# = Cp or Cp∗; Cp = (η5-C5H5), Cp∗ = (η5-C5Me5)] and LiBH4.thf, with different chalcogen ligands yielded trimolybdaborane clusters 1–3, [(Cp#Mo)3(μ-H)B8H6X2], (1: Cp# = Cp, X = H; 2: Cp# = Cp∗, X = H; 3: Cp# = Cp∗, X = Cl). Compounds 1–3 constitute an example of an unsaturated (n-4) sep cluster having very close structural similarities. These clusters represent 11-vertex

  由[CP ＃ MoCl 4 ] [CP ＃  = CP或CP ∗ ; CP =（η 5 -C 5 H ^ 5）中，CP *  =（η 5 -C 5我5）]和的LiBH 4 ·THF，用不同的配体的硫属元素产生trimolybdaborane簇1 - 3，[（CP ＃沫）3（ μ-H）B 8 H 6 X 2 ]，（1：CP ＃  = CP，X = H; 2：CP＃  = CP ∗，X = H; 3：CP ＃  ＝ CP *，X ＝ Cl）。化合物1 - 3构成的不饱和（的一例Ñ具有非常接近的结构相似-4）九月群集。这些簇代表含有66个簇价电子（cve）的11个顶点的富硼金属硼烷。所有的化合物完全表征通过各种光谱技术，元素分析和固态结构进行了明确地通过X射线衍射分析，建立1 - 3。
• B–H bond iodination of polyhedral dimolybdaborane and dimolybdathiaborane clusters
  作者：Kiran Kumarvarma Chakrahari、Arunabha Thakur、V.P. Anju、Sundargopal Ghosh

  DOI：10.1016/j.jorganchem.2013.06.011

  日期：2014.2

  Reaction of [Cp*MoCl4] (Cp*-eta(5)-C5Me5) with excess of [LiBH4 center dot thf] followed by pyrolysis with NaI yielded BeI inserted [(Cp*Mo)(2)B5H9-I-n(n)], 1-3 (1: n = 1; 2: n = 2; 3: n = 3). In parallel to the formation of 1-3, the reaction also produced known [(Cp*Mo)(2)B5H9] and [(Cp*Mo)(2)(mu-I)(4)] in good yields. Under the similar reaction conditions, dimolybdathiaborane [(Cp*Mo)(2)B4H4S2] yielded iodine substituted dimolybdathiaboranes, [(Cp*Mo)(2)B4S2H4-I-n(n)], 4 and 5 (4: n = 2; 5: n = 3) in good yields. All the new compounds have been characterized in solution by IR, H-1 and B-11 NMR as simple substituted derivatives of [(Cp*Mo)(2)B5H9] and [(Cp*Mo)(2)B4H4S2]. The solid state structures were established unambiguously by crystallographic analysis of compounds 1-5. (C) 2013 Elsevier B. V. All rights reserved.
• Direct insertion of sulfur, selenium and tellurium atoms into metallaborane cages using chalcogen powders
  作者：Satyanarayan Sahoo、Shaikh M. Mobin、Sundargopal Ghosh

  DOI：10.1016/j.jorganchem.2009.11.025

  日期：2010.4

  Reaction of [(eta(5)-C5Me5)MCl4], 1-2 (1: M = Mo and 2: W) with six fold excess of [LiBH4 center dot thf] followed by thermolysis with excess chalcogen powders (S, Se and Te) yielded dichalcomolybda- and tungstaboranes, [(eta(5)-C5Me5M)(2)B4H4E2], 5-8 (5: M = Mo, E = S; 6: M = Mo, E = Se; 7: M = Mo, E = Te; 8: M = W, E = Se) in modest yields. The geometry of 5-8 resembles a hexagonal bipyramid with a missing connectivity of two chalcogen vertices and a very short cross cage metal-metal bonding. All these new dichalcometalla-boranes have been characterized by mass, H-1, B-11, C-13 NMR spectroscopy, and the structural types were unequivocally established by crystallographic analysis of compound 6. (C) 2009 Elsevier B. V. All rights reserved.
• Unusual Open Eight-Vertex Oxamolybdaboranes: Structural Characterizations of (η⁵-C₅Me₅Mo)₂B₅(μ₃-OEt)H₆R (R = H and <i>n</i>-BuO)
  作者：Satyanarayan Sahoo、Rajendra Singh Dhayal、Babu Varghese、Sundargopal Ghosh

  DOI：10.1021/om801065r

  日期：2009.3.9

  Reaction of (eta(5)-C5Me5)MoCl4 with a 10-fold excess of LiBH4 followed by thermolysis with excess BH3 center dot THF in toluene led to the formation of two oxamolybdaborane clusters, (eta(5)-C5Me5Mo)(2)B-5(mu(3)-OEt)H6R (2, R = H; 3, R = n-BuO). Clusters 2 and 3 have been characterized by H-1, B-11, and C-13 NMR spectra and X-ray crystal structure determinations. 2 and 3 are notable examples of oxametallaborane compounds where oxygen is contiguously bound to both the cluster metal (molybdenum) and the boron atom.