bis(η5-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ3H,H',H'')(tetrahydrofuran-O)samarium(III) | 218790-11-5

• 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: bis(η5-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ3H,H',H'')(tetrahydrofuran-O)samarium(III)
• 英文别名: boranuide;oxolane;samarium(3+);1,2,3,5-tetramethyl-4-propan-2-ylcyclopenta-1,3-diene;1,2,4,5-tetramethyl-3-propan-2-ylcyclopenta-1,3-diene
• CAS: 218790-11-5
• 化学式: C₂₈H₅₀BOSm
• 分子量: 563.875
• InChiKey: SHUJBYASWSNBKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.87
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯化钐 、 sodium tetramethyl-iso-propylcyclopentadienide 、 sodium tetrahydroborate 以 四氢呋喃 为溶剂， 以54%的产率得到bis(η5-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ3H,H',H'')(tetrahydrofuran-O)samarium(III)
  参考文献：
  名称：

  Bis(η⁵-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ³H,H′,H′′)(tetrahydrofuran-O)-samarium(III): a lanthanidocene complex with a tridentate tetrahydroborato ligand

  摘要：

  The lanthanidocene complex [Sm(BH4)(C12H19)(2)(C4H8O)], (I), shows a distorted tetrahedral arrangement around the central Sm-III atom. It consists of two eta(5)-isopropyltetramethyl-cyclopentadienyl ligands, one tetrahydroborato (BH4-) ligand bridging via H atoms to the lanthanide atom and one coordinating tetrahydrofuran (thf) molecule. The BH4- unit of (I) coordinates as a tridentate ligand with three bridging H atoms and one terminal H atom [Sm-B-H4 176 (2)degrees]. The eta(5)-isopropyltetramethylcyclopentadienyl ligands of this bent-sandwich complex [Cp1-Sm-Cp2 133.53(1)degrees where Cp denotes the centroid of the cyclopentadienyl ring] adopt staggered conformations.

  DOI：

  10.1107/s0108270199013001