[Mo2(μ-O)2(O2CCH3)2(DXylF)2] | 417703-57-2

• 英文名称: [Mo2(μ-O)2(O2CCH3)2(DXylF)2]
• CAS: 417703-57-2
• 化学式: C₃₈H₄₄Mo₂N₄O₆
• 分子量: 844.671
• InChiKey: ZXIGPTPPHPZZKD-UHFFFAOYSA-L

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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  氯仿 、 [Mo2(μ-O)2(O2CCH3)2(DXylF)2] 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  A Pseudo-Jahn−Teller Distortion in an Mo₂(μ₂-O)₂ Ring Having the Shortest Mo^IV−Mo^IV Double Bond

  摘要：

  Four structures of edge-sharing bioctahedral compounds of the type Mo(2)(mu(2)-DArF)(2)(eta(2)-L-L)(2)(mu(2)-O)(2), where DArF is an anion of an N,N'-diarylformamidine and L-L is a chelating acetate or DArF group, are reported here. The cores of the ring formed by the Mo(2)(mu(2)-O)(2) are very similar with very short Mo-Mo distances of 2.306[2] A. These are consistent with the presence of a Mo=Mo double bond of the type sigma(2)pi(2). As expected for these electronic configurations, the compounds are diamagnetic. The most striking characteristic is the distortion of the Mo(2)(mu(2)-O)(2) ring where a set of two Mo-O distances are significantly shorter then the other set (by ca. 0.05 A). This D(2)(h)--> C(2)(h) distortion is explained on the basis of a pseudo-Jahn-Teller effect.

  DOI：

  10.1021/ja025713r
• 作为产物：
  描述：

  、 氧气 以 not given 为溶剂， 生成 [Mo2(μ-O)2(O2CCH3)2(DXylF)2]
  参考文献：
  名称：

  A Pseudo-Jahn−Teller Distortion in an Mo₂(μ₂-O)₂ Ring Having the Shortest Mo^IV−Mo^IV Double Bond

  摘要：

  Four structures of edge-sharing bioctahedral compounds of the type Mo(2)(mu(2)-DArF)(2)(eta(2)-L-L)(2)(mu(2)-O)(2), where DArF is an anion of an N,N'-diarylformamidine and L-L is a chelating acetate or DArF group, are reported here. The cores of the ring formed by the Mo(2)(mu(2)-O)(2) are very similar with very short Mo-Mo distances of 2.306[2] A. These are consistent with the presence of a Mo=Mo double bond of the type sigma(2)pi(2). As expected for these electronic configurations, the compounds are diamagnetic. The most striking characteristic is the distortion of the Mo(2)(mu(2)-O)(2) ring where a set of two Mo-O distances are significantly shorter then the other set (by ca. 0.05 A). This D(2)(h)--> C(2)(h) distortion is explained on the basis of a pseudo-Jahn-Teller effect.

  DOI：

  10.1021/ja025713r