La2(O-2,6-i-Pr2C6H3)6 | 169175-51-3

• 英文名称: La2(O-2,6-i-Pr2C6H3)6
• 英文别名: La2(μ-O-2,6-i-Pr2C6H3)2(O-2,6-i-Pr2C6H3)4
• CAS: 169175-51-3
• 化学式: C₇₂H₁₀₂La₂O₆
• 分子量: 1341.41
• InChiKey: HITXQWRZBDNIIG-UHFFFAOYSA-H

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：
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反应信息

• 作为反应物：
  描述：

  La2(O-2,6-i-Pr2C6H3)6 、 三乙基铝 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Interactions of Remote Alkyl Groups with Lanthanide Metal Centers: Synthesis, Characterization and Ligand Redistribution Reactions of Heterobimetallic Species Containing Trialkylaluminum Fragments

  摘要：

  DOI：

  10.1002/1099-0682(200203)2002:3<723::aid-ejic723>3.0.co;2-2
• 作为产物：
  描述：

  La2(O-2,6-i-Pr2C6H3)6(NH3)2 以 甲苯 为溶剂， 生成 La2(O-2,6-i-Pr2C6H3)6
  参考文献：
  名称：

  Ammoniacal Synthesis of Lanthanum Aryloxide Complexes and Observation of a Unique Interconversion between Oxygen- and .eta.-Arene-Bridged Dimeric Species. X-ray Crystal Structures of La2(OAr)6(NH3)n (n = 0, 2), La(OAr)3(NH3)4, and La(OAr)3(THF)2 (Ar = 2,6-i-Pr2C6H3)

  摘要：

  Reaction of LaCl3 with 3 equiv of sodium metal in liquid ammonia at -78 degrees C, followed by addition of 3 equiv of HOAr (Ar=2,6-i-Pr2C6H3) in toluene produces La(OAr)(3)(NH3)(x) (1) after warming to room temperature. Dissolution of 1 in toluene followed by 6 h reflux provides La-2(OAr)(6) (2) in good yield. An X-ray crystallographic study revealed that 2 contains a dimeric unit held together with two eta(6)-arene bridges formed from aryloxide ligands with La-C(av)=3.062(10) Angstrom. The La-O distances average 2.193(5) and 2.273(5) Angstrom for terminal and bridging aryloxide ligands, respectively. Dissolution of 1 in toluene followed by vacuum filtration and crystallization from toluene without reflux yields La-2(OAr)(6)(NH3)(2)(3) in high yield. The X-ray crystal structure of 3 reveals an alternate dimeric structure bridged by oxygen atoms of the aryloxide ligands. X-ray crystallography has shown that a third compound may be isolated by gravity filtration and crystallization of 1 to produce La(OAr)(3)(NH3)(4) (4) 4 displays a capped pseudo-octahedral geometry around the metal center with facial aryloxide and NH3 ligands. A fourth NH3 ligand caps the face defined by the other three. La-O distances for the aryloxide ligands average 2.252(6) Angstrom. The La-N distances for the NH3 ligands average 2.750(9) Angstrom with no significant lengthening of the capped La-N bond. The monomeric five- and six-coordinate Lewis base adducts, La(OAr)(3)(THF)(2) (5) and La(OAr)(3)(py)(3) (6) (py = pyridine), are prepared by reaction of 2 with an excess of the appropriate Lewis base. An X-ray crystal structure for 5 displays a distorted trigonal bipyramidal La metal center with two axial THF and three equatorial aryloxide ligands. La-O distances for aryloxide ligands average 2.21(1) Angstrom while La-O distances for the THF ligands average 2.52(1) Angstrom, Crystal data for 2 (-70 degrees C): monoclinic space group P2(1)/c, a=17.550(4) Angstrom, b=10.225(2) Angstrom, c=21.837(4) Angstrom, beta=111.57(3)degrees, V=3644.2 Angstrom(3), Z=2, d(calc)=1.310 g cm(-3), R(F)=0.0394, R(W)(F)=0.0447. Crystal data for 4 (-100 degrees C): trigonal space group R ($) over bar 3, a=14.220(2) Angstrom, c=32.821(4) Angstrom, V=5748.8 Angstrom(3), Z=6, d(calc)=1.259 g Crystal data for 5 (-70 degrees C): monoclinic space group P2(1), a=9.870(2) Angstrom, b=19.367(4) Angstrom, c=12.128(2) Angstrom, beta=109.88(3)degrees, V=2180.1 Angstrom(3), Z=2, d(calc)=1.241 g cm(-3), R(F)=0.0.449, R(W)(F)=0.0583.

  DOI：

  10.1021/ic00126a016