trans-[Co(dtc)2(P(OMe)2Ph)2]PF6 | 615261-99-9

• 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-[Co(dtc)2(P(OMe)2Ph)2]PF6
• 英文别名: trans-[Co(N,N-dimethyldithiocarbamato)2[P(OCH3)2(C6H5)]2PF6；trans-[Co(N,N-dimethyldithiocarbamate)2(P(OMe)2Ph)2]PF6；cobalt(3+);dimethoxy(phenyl)phosphane;N,N-dimethylcarbamodithioate;hexafluorophosphate
• CAS: 615261-99-9
• 化学式: C₂₂H₃₄CoN₂O₄P₂S₄*F₆P
• 分子量: 784.692
• InChiKey: KHJWZSWLTIMWII-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：

  trans-[Co(dtc)2(P(OMe)2Ph)2]PF6 以 further solvent(s) 为溶剂， 生成 bis(μ-N,N-dimethyldithiocarbamato-κ3-S,S':S')bis[(dimethoxyphenylphosphane-κP)(N,N-dimethyldithiocarbamato-κ2-S,S')cobalt(III)]bis(hexafluorophosphate)
  参考文献：
  名称：

  Bis(μ-N,N-dimethyldithiocarbamato-κ³S,S′:S′)bis[(dimethoxyphenylphosphane-κP)(N,N-dimethyldithiocarbamato-κ²S,S′)cobalt(III)] bis(hexafluorophosphate)

  摘要：

  Purple prismatic crystals of the title compound, [Co-2(C3H6NS2)(4)(C8H11O2P)(2)](PF6)(2), were obtained by repeated recrystallization of trans-[Co(C3H6NS2)(2)(C8H11O2P)(2)]PF6 from CH3CN/Et2O and then from MeOH/CH2Cl2; during recrystallization one of the P(OMe)(2)Ph ligands was dissociated from the Co-III center and the resulting Co-III complex fragment underwent dimerization. The complex cation has a dinuclear structure bridged by one S atom of each of two of the N,N-dimethyldithiocarbamate ligands, and has crystallographically imposed C-2 symmetry. Two P(OMe)(2)Ph ligands are coordinated at the transoid positions of the Co-2(mu-C3H6NS2)(2)(C3H6NS2)(2) moiety, with Co-P bond lengths of 2.1921 (11) Angstrom.

  DOI：

  10.1107/s0108270101018406
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 cis-[Co(N,N-dimethyldithiocarbamato)2[P(OCH3)2(C6H5)]2BF4 以 甲醇 为溶剂， 生成 trans-[Co(dtc)2(P(OMe)2Ph)2]PF6
  参考文献：
  名称：

  Bis(μ-N,N-dimethyldithiocarbamato-κ³S,S′:S′)bis[(dimethoxyphenylphosphane-κP)(N,N-dimethyldithiocarbamato-κ²S,S′)cobalt(III)] bis(hexafluorophosphate)

  摘要：

  Purple prismatic crystals of the title compound, [Co-2(C3H6NS2)(4)(C8H11O2P)(2)](PF6)(2), were obtained by repeated recrystallization of trans-[Co(C3H6NS2)(2)(C8H11O2P)(2)]PF6 from CH3CN/Et2O and then from MeOH/CH2Cl2; during recrystallization one of the P(OMe)(2)Ph ligands was dissociated from the Co-III center and the resulting Co-III complex fragment underwent dimerization. The complex cation has a dinuclear structure bridged by one S atom of each of two of the N,N-dimethyldithiocarbamate ligands, and has crystallographically imposed C-2 symmetry. Two P(OMe)(2)Ph ligands are coordinated at the transoid positions of the Co-2(mu-C3H6NS2)(2)(C3H6NS2)(2) moiety, with Co-P bond lengths of 2.1921 (11) Angstrom.

  DOI：

  10.1107/s0108270101018406

文献信息

• Syntheses, crystal structures and isomerization kinetics of a series of [Co(dtc)₂{P(OMe)_3 − nPh_n}₂]⁺(n = 0–2) complexes (dtc⁻= N,N-dimethyldithiocarbamate): role of σ-donicity, π-acidity, and cone angle of the P-ligands in the trans influence and trans effect
  作者：Satoshi Iwatsuki、Shinsaku Kashiwamura、Kazuo Kashiwabara、Takayoshi Suzuki、Hideo D. Takagi

  DOI：10.1039/b301712e

  日期：——

  electronic trans influence was not significant in the [Co(dtc)2P(OMe)3 − nPhn}2]+ species while it was far more evident in the complexes with strong σ-donating phosphines such as PMe3 and PMe2Ph. A reversible cis–trans inter-conversion was observed for the [Co(dtc)2P(OMe)3 − nPhn}2]+ complexes: cis to trans isomerization was induced by irradiation of light while slow thermal trans to cis isomerization

  一系列新的钴的几何异构体（III）的含P（OME）络合物3 -  ñ博士Ñ （Ñ = 0，1或2），反式-和顺- [CO（DTC）2 P（OME）3 -  ñ博士ñ } 2 ] + （DTC - = N，N- -dimethyldithiocarbamate），已被合成并得到晶体结构和光谱性质。通过用有关的报道结构相比[CO（DTC）2（P-配体）2 ] +复合物，结果表明，在钴磷键长[CO（DTC）2（P-配体）2 ] +是线性地依赖于托尔曼的锥角，θ Ť中，P的配体。另一方面，反式-[Co（dtc）2的第一个d-d波段的Co-P键长以及分裂组分的跃迁能（1 A 1g →a 1 E g：D 4h）（P-配体）2 ] +与P-的托尔曼电子参数（χ）不线性相关配体。在反式异构体中，发现相互的电子反式影响在[Co（dtc）2 P（OMe）3-  n Ph n } 2 ] +物种中不明显，而