chloro(2,2,7,7-tetramethyloctadiyne-3,5)tetrakis(trimethylphosphine)-dicobalt | 149390-47-6

• 英文名称: chloro(2,2,7,7-tetramethyloctadiyne-3,5)tetrakis(trimethylphosphine)-dicobalt
• CAS: 149390-47-6
• 化学式: C₂₄H₅₄ClCo₂P₄
• 分子量: 620.027
• InChiKey: VNJRWLFCQGAKLR-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  Co(cyclo-C5H8)PMe3)3 、 2,2,7,7-四甲基-3,5-辛二炔 、 cobalt(II) chloride 以 四氢呋喃 为溶剂， 以51%的产率得到chloro(2,2,7,7-tetramethyloctadiyne-3,5)tetrakis(trimethylphosphine)-dicobalt
  参考文献：
  名称：

  Single and double π-alkyne coordination in oxidation-reduction equilibria of low-valent trimethylphosphinecobalt complexes: spontaneous formation of a mixed valence dicobaltatetrahedrane core in the structure of Co2Cl(μ2-Me3ECCCCEMe3)(PMe3)4 (ESi, C)

  摘要：

  Neutral dicobaltatetrahedrane complexes Co2Cl(mu2-Me3E-C=C-C=C-EMe3)(PMe3)4 (E = Si (1), C (2), Ge (3)) containing cobalt(0) and cobalt(I) have been isolated from oxidation-reduction equilibria. Compound 1 crystallizes in the triclinic space group P1BAR with a = 9.747(2), b = 12.140(4), c = 16.111(5) angstrom, alpha = 97.29(2), beta = 95.72(2), gamma = 103.70(2)-degrees, V = 1820.5 angstrom3, Z = 2. Final discrepancy indices are R = 0.064 and R(w) = 0.044 for 3110 independent data (F > 4sigma(F)). The structure has a Co2C2 tetrahedrane core formed by double pi-coordination of one alkyne function to Co-Co connected Co(PMe3)3 and CoCl(PMe3) fragments giving a 33-electron count for the tetrahedrane unit. ESR spectra (toluene solution at 298 K) suggest the unpaired electron to reside at the Co(PMe3)3 site in a metal orbital. Diphenylbutadiyne exclusively forms diamagnetic CoCl(eta2-PhC=CC=CPh)(PMe3)3 (4) while with Me3CC-CC-CCMe3 both types of complexes are observed. Under 1 bar carbon monoxide, 1 is transformed to mononuclear carbonyl(trimethylphosphine)cobalt compounds and diyne is liberated.

  DOI：

  10.1016/s0020-1693(00)91458-0