bis(η-methylcyclopentadienyl)titanium(IV) isoselenocyanate | 75070-66-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: bis(η-methylcyclopentadienyl)titanium(IV) isoselenocyanate
• 英文别名: [Ti(η5-C5H4CH3)2(NCSe)2]；1-methylcyclopenta-1,3-diene;titanium(4+);diisoselenocyanate
• CAS: 75070-66-5
• 化学式: C₁₄H₁₄N₂Se₂Ti
• 分子量: 416.079
• InChiKey: RDGOGBWJUYRKQV-UHFFFAOYSA-N

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：

  bis(η-methylcyclopentadienyl)titanium(IV) isoselenocyanate 在 air 作用下， 以 二氯甲烷 为溶剂， 生成 [Ti(η5-C5H4CH3)2(NCSe)]2O
  参考文献：
  名称：

  Synthesis, characterization, and structures of New Titanocene Isoselenocyanato Complexes

  摘要：

  AbstractThe complexes [Ti(η5‐C5H4R)2(NCSe)2] [R = Me (1), SiMe3 (2), or SiEt3 (3)] were prepared from the corresponding dichlorides with KSeCN in acetone; the oxygen‐bridged complex [Ti(η5‐C5H4Me)2(NCSe)]2O (4) was formed by air oxidation of (1). All complexes were characterized by elemental microanalysis and by IR, 1H NMR, and mass spectroscopies. An X‐ray analysis of (1) and (4) confirms the results of IR studies that these complexes contain N‐bonded selenocyanate ligands. In molecules (1) and (4) there is a pseudotetrahedral arrangement about each titanium. The NCSe chains are linear with normal NC and CSe bond distances. The dimer (4) contains an approximately linear TiOTi bridge (angle 173.4º) with a TiO bond distance of 1.838 Å. The structural results are compared with those in related compounds.

  DOI：

  10.1002/zaac.19966220818
• 作为产物：
  描述：

  二(甲基环戊二烯基)二氯化钛 、 potassium selenocyanate 以 丙酮 为溶剂， 以57%的产率得到bis(η-methylcyclopentadienyl)titanium(IV) isoselenocyanate
  参考文献：
  名称：

  Synthesis, characterization, and structures of New Titanocene Isoselenocyanato Complexes

  摘要：

  AbstractThe complexes [Ti(η5‐C5H4R)2(NCSe)2] [R = Me (1), SiMe3 (2), or SiEt3 (3)] were prepared from the corresponding dichlorides with KSeCN in acetone; the oxygen‐bridged complex [Ti(η5‐C5H4Me)2(NCSe)]2O (4) was formed by air oxidation of (1). All complexes were characterized by elemental microanalysis and by IR, 1H NMR, and mass spectroscopies. An X‐ray analysis of (1) and (4) confirms the results of IR studies that these complexes contain N‐bonded selenocyanate ligands. In molecules (1) and (4) there is a pseudotetrahedral arrangement about each titanium. The NCSe chains are linear with normal NC and CSe bond distances. The dimer (4) contains an approximately linear TiOTi bridge (angle 173.4º) with a TiO bond distance of 1.838 Å. The structural results are compared with those in related compounds.

  DOI：

  10.1002/zaac.19966220818

文献信息

• Jain, V. K.; Bhatia, N. K.; Sharma, K. C., Journal of the Indian Chemical Society, 1980, vol. 57, p. 6 - 10
  作者：Jain, V. K.、Bhatia, N. K.、Sharma, K. C.、Garg, B. S.

  DOI：——

  日期：——