(benzene)cyclopentadienylvanadium | 39358-56-0

• 英文名称: (benzene)cyclopentadienylvanadium
• 英文别名: (cyclopentadienyl)V(benzene)；[(C5H5)V(η6-C6H6)]；CpVBz
• CAS: 39358-56-0
• 化学式: C₁₁H₁₁V
• 分子量: 194.15
• InChiKey: CJUWFQDEUHRSGV-UHFFFAOYSA-N

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：

  四甲基乙二胺 、 (benzene)cyclopentadienylvanadium 、 lithium 以 四氢呋喃 、 乙醚 为溶剂， 以95%的产率得到(N,N,N',N'-tetrametylethylenediaminelithium)(benzene)cyclopentadienylvanadium
  参考文献：
  名称：

  Jonas, Klaus; Ruesseler, Wolfgang; Angermund, Klaus, Angewandte Chemie, 1986, vol. 98, p. 904 - 905

  摘要：

  DOI：
• 作为产物：
  描述：

  vanadocene 、 1,3-环己二烯 在 n-BuLi 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以81%的产率得到(benzene)cyclopentadienylvanadium
  参考文献：
  名称：

  Jonas, Klaus; Ruesseler, Wolfgang; Angermund, Klaus, Angewandte Chemie, 1986, vol. 98, p. 904 - 905

  摘要：

  DOI：

文献信息

• Magnetic and Structural Studies of Vanadium Arene Complexes
  作者：Victoria Beck、Andrew R. Cowley、Dermot O'Hare

  DOI：10.1021/om0497442

  日期：2004.8.1

  The temperature dependence of the solid-state magnetic susceptibility for the paramagnetic V(l) complexes trans-(CPV)(2)(mu-eta(6):eta(6)-C6H6) (1) and CpV(eta(6)-C6H6) (2) has been investigated. Complex 1 obeys the Curie-Weiss law over the temperature range 10-300 K with mu(eff) = 4.81 mu(B) and Theta = -18.8 K. The high-temperature moment is consistent with the presence of a total of four unpaired electrons derived from two low-spin V(I) d(4) metal centers in an S = 2 configuration. However, at ca. 9 K the magnetic susceptibility displays a broad maximum. This magnetic behavior may be modeled over the full temperature range (4-300 K) using the Heisenberg intracluster magnetic exchange expression for an S-1 = S-2 = 1 system with g = 2.37, Theta = -12.3 K, and J = -2.64 cm(-1). Complex 2 obeys the Curie-Weiss law over the temperature range 5-300 K, with mu(eff) =.2.86 mu(B) and Theta = -5.0 K. The X-ray structure of 2 (P2(1)/a, a = 10.7842(4) Angstrom, b = 7.8233(4) Angstrom, c = 11.2017(5) Angstrom, beta = 113.830(2)degrees at 150 K, Z = 4) has been determined. Crystals of 2 undergo a reversible phase transition to a new monoclinic cell with a' approximate to (a + c)/2, b' approximate to b, c' approximate to (c - a)/2 over the temperature range 290-270 K.