[(η(5)-C5H4P(C6H5)2)2Ti(SC6H5)2] | 166670-48-0

• 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: [(η(5)-C5H4P(C6H5)2)2Ti(SC6H5)2]
• 英文别名: Ti(SPh)2(η(5)-C5H4PPh2)2；benzenethiolate;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;titanium(4+)
• CAS: 166670-48-0
• 化学式: C₄₆H₃₈P₂S₂Ti
• 分子量: 764.767
• InChiKey: JRWKLZHQIQZYDY-UHFFFAOYSA-L

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：
  None

反应信息

• 作为反应物：
  描述：

  cis-[(pentafluorophenyl)2 (tetrahydrofurane)2 platinum(II)] 、 [(η(5)-C5H4P(C6H5)2)2Ti(SC6H5)2] 以 甲苯 为溶剂， 以51%的产率得到[(C6H5S)2Ti(η(5)-C5H4P(C6H5)2)2Pt(C6F5)2]
  参考文献：
  名称：

  Thiolate derivatives of bis(diphenylphosphinocyclopentadienyl)titanium TiPt and TiPd heterobimetallic compounds

  摘要：

  Reactions of [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] with HSR in the presence of Et(3)N gave the new compounds [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SR)(2)] (R = CH2C6H5 (1), C6H5, (2), CH2CH3 (3), C6F5 (4) and [{eta(5)-C5H4P(C6H5)(2)}2TiCl(SC6H11)] (5). The complex [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SC6F5)(2)] can be prepared in higher yield by reaction of TlSC6F5 with [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] in toluene. These compounds are of interest as metalloligands to form bimetallic and trimetallic species. The treatment of [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] or [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SC6H5)(2)] with cis-[M(C6F5)(2)(THF)(2)] gave the new heterobimetallic complexes [Cl2Ti{mu-C5H4P(C6H5)(2)}(2)M(C6F5)(2)] [M = Pt (6) or Pd (7)] and [(C6H5S)(2)Ti{mu-C5H4P(C6H5)(2)}Pt-2(C6F5)(2)] (8). In all cases the THF of the cis-[M(C6F5)(2)(THF)(2)] was easily replaced by the phosphine rather than chloride or thiolate. The compounds have been characterized by H-1, P-31 and F-19 NMR spectroscopies and FAB mass spectrometry.

  DOI：

  10.1016/0022-328x(95)05427-q
• 作为产物：
  描述：

  bis{diphenylphosphino}titanocenedichloride 、 苯硫酚 在 三乙胺 作用下， 以 甲苯 为溶剂， 以60%的产率得到[(η(5)-C5H4P(C6H5)2)2Ti(SC6H5)2]
  参考文献：
  名称：

  Thiolate derivatives of bis(diphenylphosphinocyclopentadienyl)titanium TiPt and TiPd heterobimetallic compounds

  摘要：

  Reactions of [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] with HSR in the presence of Et(3)N gave the new compounds [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SR)(2)] (R = CH2C6H5 (1), C6H5, (2), CH2CH3 (3), C6F5 (4) and [{eta(5)-C5H4P(C6H5)(2)}2TiCl(SC6H11)] (5). The complex [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SC6F5)(2)] can be prepared in higher yield by reaction of TlSC6F5 with [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] in toluene. These compounds are of interest as metalloligands to form bimetallic and trimetallic species. The treatment of [{eta(5)-C5H4P(C6H5)(2)}2TiCl2] or [{eta(5)-C5H4P(C6H5)(2)}Ti-2(SC6H5)(2)] with cis-[M(C6F5)(2)(THF)(2)] gave the new heterobimetallic complexes [Cl2Ti{mu-C5H4P(C6H5)(2)}(2)M(C6F5)(2)] [M = Pt (6) or Pd (7)] and [(C6H5S)(2)Ti{mu-C5H4P(C6H5)(2)}Pt-2(C6F5)(2)] (8). In all cases the THF of the cis-[M(C6F5)(2)(THF)(2)] was easily replaced by the phosphine rather than chloride or thiolate. The compounds have been characterized by H-1, P-31 and F-19 NMR spectroscopies and FAB mass spectrometry.

  DOI：

  10.1016/0022-328x(95)05427-q

文献信息

• Synthesis and characterization of oxo- and thiophosphorylcyclopentadienyl Ti(IV) thiolate complexes. Crystal structures of [(η5-C5H4P(S)Ph2)(η5-C5H4SiMe3)TiCl2] and [(η5-C5H4P(S)Ph2)2Ti(SPh)2]·C4H10O
  作者：Esther Delgado、M.Angeles Garcı́a、Elisa Hernández、Noelia Mansilla、L.Alfonso Martı́nez-Cruz、Jesús Tornero、Rosario Torres

  DOI：10.1016/s0022-328x(98)00496-3

  日期：1998.6

  New titanium (IV) complexes containing diphenyloxo- or diphenylthiophosphorylcyclopentadienyl ligands are obtained by reaction of diphenylphosphinocyclopentadienyl derivatives with the appropriate oxidizer (S8 or H2O2). The crystal structures of [(η5-C5H4P(S)Ph2)(η5-C5H4SiMe3)TiCl2] 3 and [(η5-C5H4P(S)Ph2)2Ti(SPh)2]·C4H10O 7 indicate in both cases, a pseudo-tetrahedral arrangement around the titanium

  通过使二苯基膦基环戊二烯基衍生物与适当的氧化剂（S 8或H 2 O 2）反应，可获得含有二苯基氧代-或二苯基硫代磷酰基环戊二烯基配体的新的钛（IV）配合物。[（的晶体结构η 5 -C 5 H ^ 4 P（S）PH 2）（η 5 -C 5 H ^ 4森达3）的TiCl 2 ] 3和[（η 5 -C 5 H ^ 4 P（S）PH 2）2钛（SPh）2在两种情况下，]·C 4 H 10 O 7表示围绕钛原子的伪四面体排列。化合物7中的两个SPh配体在TiS 2平面的相对位置定位，这表明该分子具有反构象。
• Synthesis of heteronuclear compounds by use of [Ti(η⁵-C₅H₄PPh₂)₂(SR)₂](R = Et or Ph) as metalloligands. Crystal structures of [{Mo(CO)₄}₂{µ-(Ph₂PC₅H₄)₂Ti(SPh)₂}] and [(OC)₄Mo(µ-Ph₂PC₅H₄)₂Ti(µ-SPh)₂Pt(C₆F₅)₂]
  作者：Irene Ara、Esther Delgado、Juan Forniés、Elisa Hernández、Elena Lalinde、Noelia Mansilla、M. Teresa Moreno

  DOI：10.1039/dt9960003201

  日期：——

  [Mo(CO)4(nbd)](nbd = norbornadiene) in 1 : 1 molar ratio by replacement of the nbd by two cyclopentadienyldiphenylphosphines co-ordinated by the P atoms. The ability of the S atoms in the thiolate ligands to act as Lewis bases leads to a further increase in nuclearity. Thus, when the reaction was carried out in a 1 : 3 molar ratio, heterotrinuclear complexes 3 and 4 were obtained. The crystal structure of 4 showed

  络合物[（OC）4 Mo（µ-Ph 2 PC 5 H 4）2 Ti（SR）2 ]（R = Et 1或Ph 2），[Mo（CO）4 } 2 µ-（Ph 2 PC 5 H 4）2 Ti（SR）2 }]（R = Et 3或Ph 4）和[（OC）4 Mo（µ-Ph 2 PC 5 H 4）2 Ti（µ-SPh）2 M（C 6 F 5）2 ]（M =铂已经制备并表征了5或Pd 6）。络合物1和2是由钛[Ti（η的反应而得到的5 -C 5 H ^ 4 PPH 2）2（SR）2 ]和[沫（CO）4：1分摩尔比（NBD）]（NBD =降冰片二烯）在1通过两个由P原子配位的环戊二烯基二苯基膦取代nbd。硫醇盐配体中的S原子充当路易斯碱的能力导致核的进一步增加。因此，当反应以1：3的摩尔比进行时，异三核配合物3和4获得了。4的晶体结构表明，钛单核化合物对两个Mo（CO）4片段起对称的S，P桥连四齿配体的作用。化合物2与顺式-[M（C