[{(C5Me4H)Y(μ-H)2}4(thf)4] | 1271455-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: [{(C5Me4H)Y(μ-H)2}4(thf)4]
• 英文别名: [((η5-tetramethylcyclopentadienyl)Y)4(μ3-H)4(μ2-H)4(tetrahydrofuran)4]；hydride;oxolane;1,2,3,4-tetramethylcyclopenta-1,3-diene;yttrium(3+)
• CAS: 1271455-22-1
• 化学式: C₅₂H₉₂O₄Y₄
• 分子量: 1136.92
• InChiKey: SXZNBJYZFSJMSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.63
• 重原子数：
  60
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  [{(C5Me4H)Y(μ-H)2}4(thf)4] 、 [(C5Me5)Mo(PMe3)H5] 以 甲苯 为溶剂， 反应 2.0h， 以72%的产率得到[{(C5Me4H)Y}4(μ-H)4{(μ-H)5Mo(C5Me5)}2]*C7H8
  参考文献：
  名称：

  包含不同Cp配体的氢化钇的杂金属多金属氢化物配合物：合成，结构和氢吸收/释放性质

  摘要：

  合成了一个新的Y 4 / M 2和Y 5 / M杂双金属稀土金属/ d嵌段过渡金属配合物。四核钇八氢化物配合物[{Cp'Y（μ-H）2 } 4（thf）4 ]（Cp''= C 5 Me 4 H，1-C 5 Me 4 H）与一当量的反应六族金属五氢化物配合物[Cp * M（PMe 3）H 5 ]（M = Mo，W; Cp * = C 5 Me 5）得到五核异双金属Y4 / M  polyhydride配合物[{（Cp''Y）4（μ-H）7 }（μ-H）4 MCP *（PME 3）]（M =钼（2），W（2 B）） 。化合物的紫外线照射2，b的THF，得到PME 3 -free配合物[{（Cp''Y）4（μ-H）6（THF）2 }（μ-H）5 MCP *]（M =钼（3 a），W（3 b））。化合物3a，b与一当量的[Cp * M（PMe 3）H 5 ]反应，得到六核Y 4。/ M 2复合物[{Cp

  DOI：

  10.1002/chem.201203495
• 作为产物：
  描述：

  四氢呋喃 、 [(η5-tetramethylcyclopentadienyl)Y(N,N,2-trimethylaniline(-H))2] 、 氢气 以 四氢呋喃 为溶剂， 以88%的产率得到[{(C5Me4H)Y(μ-H)2}4(thf)4]
  参考文献：
  名称：

  Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands

  摘要：

  The novel series of half-sandwich tetrahydrofuran (THF)-free yttrium bis(arninobenzyl) complexes [(C(5)Me(4)R)-Y(CH(2)C(6)H(4)NMe(2-o))(2)] (R = SiMe(3) (1a), Me (1b), Et (1c), H (1d)) was prepared by treatment of [Y(CH(2)C(6)H(4)NMe(2-o))(3)] with C(5)Me(4)RH, and their reactions with H(2) and with PhSiH(3) in aromatic solvents or in THF were examined. The reaction of la with H(2) in benzene gave the pentanudear yttrium decahydride complex [{Cp'Y(mu-H)(2)}(5)] (Cp' = eta(5)-C(5)Me(4)SiMe(3)) (3), which could not be obtained by the reaction of the corresponding THF-coordinated dialkyl complex [Cp'Y(CH(2)SiMe(3))(2)(THF)] with H(2). The reaction of 1b with H(2) in toluene gave the partially hydrogenated tetranudear mixed aminobenzyl/hydride complex [(Cp*Y)(2)(CH(2)C(6)H(4)NMe(2-o))(mu-H)(3)](2) (4; Cp* = eta(5)-C(5)Me(5)), and no further hydrogenation reaction occurred, whereas the corresponding reaction of 1b with H(2) in THF gave the pentanuclear yttrium polyhydride complex [{Cp*Y(mu-H)(2)}(5) (THF)(2)] (5). Hydrogenolysis of the sterically less demanding C(5)Me(4)H-ligated complex 1d with H(2) in THF gave the tetranuclear octahydride complex [{Cp(H)Y(mu-H)(2)}(4)(THF)(4)] (6; Cp(H) = eta(5)-C(5)Me(4)H), which has one coordinating THF ligand on each metal atom. The hexanuclear yttrium dodecahydride complex {[Cp*Y(mu-H)(2)](6)} (7) was obtained by treatment of 1b with PhSiH(3) in benzene. The structures of 1a,b,d, 3, 4, {{(C(5)Me(4)Et)Y(mu-H)(2)}(5)(THF)(2)] (5'), 6, and 7 were determined by X-ray single-crystal diffraction studies.

  DOI：

  10.1021/om1012055