ditungsten hexapivalate | 84028-44-4

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: ditungsten hexapivalate
• CAS: 84028-44-4
• 化学式: C₃₀H₅₄O₁₂W₂
• 分子量: 974.452
• InChiKey: IVGLQAUPHVXIBA-UHFFFAOYSA-H

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：

  ditungsten hexapivalate 、 triethyloxonium fluoroborate 以 二氯甲烷 为溶剂， 以66%的产率得到
  参考文献：
  名称：

  Cationic d3-d3 dinuclear compounds of tungsten: [W2(O2CBut)5]+X−, where X−=BF4− and CF3SO3−

  摘要：

  Ditungsten hexapivalate, W-2(O(2)CBu(t))(6), and triethyloxonium tetrafluoroborate, Et(3)O(+)BF(4)(-), react in CH2Cl2 at room temperature to yield the 1:1 complex [W-2(O(2)CBu(t))(5)][Bf(4)] (1), as a yellow crystalline solid. A similar reaction involving trimethylsilyltrifluoromethane-sulfonate, TMS-OTf, yields [W-2(O(2)CBu(t))(5)][OTf] (2). Compounds 1 and 2 are 1:1 electrolytes in CH3CN but show ion pairing in THF and CH2Cl2 solutions with the degree of ion pairing being greater for 2 than for 1. Only 1 is soluble in toluene. H-1 NMR spectroscopy shows there are 3 types of O(2)CBu(t) ligands in the integral ratio 1:2:2 which is consistent with the structure found in the solid stale for 1 which has a (W=W)(6+) unit, W-W=2.28(1) Angstrom supported by three bridging pivalates and two chelating eta(2)-O(2)CBu(t) ligands. The local geometry about each tungsten is a distorted pentagonal pyramid, W=WO5, with relatively weak axial interactions (trans to the W=W bond) to the BF4- counter anions, W-F=2.50(1) Angstrom (av.). This leads to an infinite polymeric structure in the solid state. Crystal data for [W-2(O(2)CBu(t))(5)][BF4] at -171 degrees C: a=29.44(1), b=36.05(1), c =20.80(1) Angstrom, beta=133.30(1)degrees, Z=16, D-calc=1.82 g cm(-3) and space group C2/c.

  DOI：

  10.1016/s0020-1693(00)83824-4
• 作为产物：
  描述：

  ditungsten hexakis(tert-butoxide) 、 三甲基乙酸 在 pivalic acid 作用下， 以 further solvent(s) 为溶剂， 生成 ditungsten hexapivalate
  参考文献：
  名称：

  Oxidative-additions to (W.tplbond.W)6+ centers: the influence of Lewis base association reactions

  摘要：

  DOI：

  10.1021/ja00340a025

文献信息

• Chisholm, Malcolm H.; Heppert, Joseph A.; Hoffman, David M., Inorganic Chemistry, <hi>1985</hi>, vol. 24, # 20, p. 3214 - 3217
  作者：Chisholm, Malcolm H.、Heppert, Joseph A.、Hoffman, David M.、Huffman, John C.

  DOI：——

  日期：——