(HB(C3H3N2)3)2V2(μ-O)(μ-MeCOO)2 | 112112-46-6

• 英文名称: (HB(C3H3N2)3)2V2(μ-O)(μ-MeCOO)2
• CAS: 112112-46-6
• 化学式: C₂₂H₂₆B₂N₁₂O₅V₂
• 分子量: 662.031
• InChiKey: XQRBSWOXWMILKJ-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：

  (HB(C3H3N2)3)2V2(μ-O)(μ-MeCOO)2 、 三氟甲磺酸 以 乙腈 为溶剂， 以>99的产率得到[V2(μ-hydroxo)bis(μ-acetato)(hydridotris(pyrazolyl)borate)2] triflate
  参考文献：
  名称：

  Spectroscopic and Magnetostructural Correlations in Oxo-Bridged Dinuclear Vanadium(III) Complexes of Potential Biological Significance

  摘要：

  The synthesis of several dinuclear (mu-oxo)bis(mu-carboxylato or diphenylphosphato) divanadium(III) complexes, [V2O(O(2)CR)(2)L(2)] (where L = HB(pz)(3)(-) and R = CH3 (I), C6H5 (II), C2H5 (III), and H (IV), or L = HB(3,5-Me(2)pz)(3)(-) and R = CH3 (V) and [V2O(O2P(OC6H5)(2))(2)(HB(pz)3)(2)] (X), are described. X-ray crystallographic analysis of III and X gave the following parameters: III, C32H42B2N16O5V2, P2(1)/n, a = 13.406(3) Angstrom, b = 15.313(3) Angstrom, c = 22.217(4) Angstrom, beta = 106.75(3)degrees, Z = 4, V = 4367(2) Angstrom(3); X, C44H43B2N13O9P2V2, P2(1)/n, a 11.944(4) Angstrom, b = 20.091(7) Angstrom, c = 21.729(16) Angstrom, beta = 94.38(4)degrees, Z = 4, V = 5199(4) Angstrom(3). Protonation of the ore-bridged species with either HClO4 or HSO3CF3 causes a rapid color change from deep green to pale red and results in the crystallization of the hydroxo-bridged species [V-2(OH)(O(2)CR)2(HB(pz)3)2](X) (where R = CH3 and X = ClO4- (VI) or R = C2H5 (VII), C6H5 (VIII), and H (IX), and X = CF3SO3-) and [V-2(OH)(O2P(OC6H5)2)(2)(pz)3)2](CF3SO3) (XI). Crystallographic parameters are as follows: VIIb, C29H39B2F3N12O9SV2, P2(1)2(1)2(1), a = 12.309(3) Angstrom, b = 16.197(2) Angstrom, c = 20.232(2) Angstrom, Z = 4, V = 4033.9(9) Angstrom(3); XI, C(56.5)H(64.5)B(2)F(3)N1(2)O(14.5)P(2)SV(2), P (1) over bar, a 12.113(2) Angstrom, b = 14.938(3) Angstrom, c = 20.052(4) Angstrom, alpha = 72.88(3)degrees, beta = 76.73(3)degrees, gamma = 87.15(3)degrees, Z = 4, V = 3374.3(11) Angstrom(3). In contrast to well-studied ore-bridged Fe(III) complexes, UV-visible, paramagnetic NMR, resonance Raman, and magnetic susceptibility on these V(III) complexes reveal electronic and magnetostructural correlations dependent on the V-O-V angle. Such correlations may be useful in assigning structures to complex biosystems containing the [V(mu-O)V](4+) core.

  DOI：

  10.1021/ic00127a026
• 作为产物：
  描述：

  氯化钒 、 三吡唑啉基硼氢钾 在 CH₃COONa 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以46%的产率得到(HB(C3H3N2)3)2V2(μ-O)(μ-MeCOO)2
  参考文献：
  名称：

  Köppen, Martin; Fresen, Gerd; Wieghardt, Karl, Inorganic Chemistry, 1988, vol. 27, # 4, p. 721 - 727

  摘要：

  DOI：