triindenyl tetrahydrofuranato praseodymium | 213614-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: triindenyl tetrahydrofuranato praseodymium
• 英文别名: 1H-inden-1-ide;oxolane;praseodymium(3+)
• CAS: 213614-22-3
• 化学式: C₃₁H₂₉OPr
• 分子量: 558.478
• InChiKey: ZHLKSCYSTJIZOB-UHFFFAOYSA-N

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：

  triindenyl tetrahydrofuranato praseodymium 、 烟碱 以 甲苯 为溶剂， 以85%的产率得到tris(indenyl)((S)-(-)-nicotine)praseodymium
  参考文献：
  名称：

  Guan, Jingwen; Fischer, R. Dieter, European Journal of Inorganic Chemistry, 2001, # 10, p. 2497 - 2508

  摘要：

  DOI：
• 作为产物：
  描述：

  Pr(η(5)-indenyl)3 以 neat (no solvent) 为溶剂， 生成 triindenyl tetrahydrofuranato praseodymium
  参考文献：
  名称：

  Crystal structure, conformational diversity and solution NMR spectroscopy of four tris(indenyl)lanthanoid(III) tetrahydrofuran adducts: [Ln(C9H7)3 · THF] (Ln = La, Pr, Nd, Sm)

  摘要：

  Four homologous tris(indenyl)lanthanoid(III) adducts, [Ln(C9H7)(3)THF] (THF = tetrahydrofuran), with Ln = La (1), Pr (2), Nd (3) and Sm (4) were prepared in excellent yields, and six single crystals, 1a, 1b, 2, 3a, 3b and 4 (1 and 3 being at least dimorphic) have been subjected to detailed X-ray studies. The C-5-fragments of the C9H7 ligands are almost pentahapto-bonded, and either two or three C9H7 units adopt paddle-wheel-like orientations. The crystals 1a, 2 and 3a contain two molecules of different conformation, one molecule displaying one C9H7 benzo group in a transoid orientation relative to the THF ligand. A similar conformation, albeit with one cisoid benzo group, is realized in 1b. Three characteristic structural motifs, I(1a, 2, 3a), II (1b) and III (3b, 4), emerge from the present results, and appear to be consistent with earlier findings. Motif III is most remarkable in view of its hexagonal, chiral space group P6(3), owing to 'trigonally disordered' THF units. Solution H-1 NMR spectroscopy indicates three rapidly equilibrating virtually equivalent C9H7 ligands, the La-139 NMR spectrum of 1 and the MCD spectrum of 2 admitting again eta(5)-coordination. The long-pending suggestion of predominantly eta(1)-coordinated C9H7 ligands in dissolved molecules of 4 seems to be no longer justified. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00565-2

文献信息

• Synthesis and x-ray structural investigation of triindenyl tetrahydrofuranato praseodymium
  作者：Shaowu Wang、Deyuan Kong、Zhongwen Ye、Xiaoying Huang

  DOI：10.1016/0022-328x(95)05458-2

  日期：1995.6

  Reaction of PrCl3 and C9H7Na in 1:2 molar ratio affords the disproportionation product of [C9H7)3PrOC4H8]. It cyrstallizes into [(C9H7)3Pr(1)OC4H8][C9H7)3Pr(2)OC4H8], which is composed by pairs of disconnected molecules with slight differences in structure. The crystal is in monoclinic system, space group P21/a, with unit cell constants a = 21.809(9), b = 10.512(4) and c = 23.586(9) Å, , F(000) = 2256

  PrCl 3和C 9 H 7 Na以1：2的摩尔比反应，得到[C 9 H 7）3 PrOC 4 H 8的歧化产物。结晶为[（C 9 H 7）3 Pr（1）OC 4 H 8 ] [C 9 H 7）3 Pr（2）OC 4 H 8 ]，它由成对的，结构上略有不同的不连续分子组成。晶体处于单斜晶系，空间群P 2 1 / a，其单位晶格常数为a = 21.809（9），b = 10.512（4）和c = 23.586（9），，F（000）= 2256，并且对fin R = 0.038和R进行全矩阵最小二乘优化w = 0.047。该复合物还通过IR和元素分析进行​​了表征。
• Synthesis, Characterization and Studies on the Thermal Stability of Bis(Indenyl)-Praseodymium and Neodymium Complexes with a Ln-S Bond: (C₉H₇)₂Lnsr(Thf)
  作者：Weiwen Ma、Zuen Huang、Xigeng Zhou、Ruifang Cai

  DOI：10.1080/00945719809351690

  日期：1998.10