trans-PPh4[Co(pentane-2,4-dionate)2(CN)2] | 215368-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-PPh4[Co(pentane-2,4-dionate)2(CN)2]
• CAS: 215368-04-0；55253-49-1
• 化学式: C₁₂H₁₄CoN₂O₄*C₂₄H₂₀P
• 分子量: 648.644
• InChiKey: OSGFIBOTOHHLLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为产物：
  描述：

  sodium cyanide 、 trans-bis(pentane-2,4-dionato-O,O')bis(triphenylphosphine-P)cobalt(III) hexafluorophosphate 、 四苯基氯化膦 以 甲醇 为溶剂， 以70%的产率得到trans-PPh4[Co(pentane-2,4-dionate)2(CN)2]
  参考文献：
  名称：

  Syntheses and crystal structures of geometrical isomeric pairs: Trans- and cis-(PPh4) [Co (acac)2 (CN)2] and trans- and cis-[Co(acac)2(PMe3 or PEt3)2]PF6 (acac = pentane-2,4-dionate)

  摘要：

  Reactions of trans-[Co(acac)(2)(PPh3)(2)]PF6 (acac =pentane-2,4-dionate) with NaCN and with PR3 (R=Me or Et) in methanol afforded new complexes, trans-(PPh4) [Co(acac)(2)(CN)(2)] and trans-[Co(acac)(2)(PR2)(2)]PF6, respectively. The structures of the new trans-isomers, together with those of the corresponding known cis-isomers, were determined by single-crystal X-ray diffraction. Complexes trans-[Co(acac)(2)(PR3)(2)](+) were stable in dry organic solvents, but in wet methanol easily hydrolysed to give trans-[Co(acac)(2)(PR3) (H2O)](+) and isomerized to cis-[Co(acac)(2)(PR3)(2)](+) by the addition of a catalytic amount of active charcoal. In contrast, trans- and cis-[Co(acac)(2)(CN)(2)](-) and cis-[Co(acac)(2)(PR3)(2)](+) were stable in both dry and wet solvents. The X-ray structure analyses showed that the Co-C and Co-P bonds in the trans-isomers were longer by about 0.07 and 0.08 Angstrom, respectively, than those of the corresponding cis-isomers. The Co-O bonds trans to cyanide and phosphine ligands were also longer than those of the mutually trans Co-O bonds, owing to the strong trans influences of cyanide and phosphine ligands. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00146-7