neodymium(III) iodide-tetrahydrofurane (1/3)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: neodymium(III) iodide-tetrahydrofurane (1/3)
• 英文别名: (tetrahydrofurane)3neodymium triiodide；Neodymium(III)-iodid-THF (1/3)；NdI3*3THF；oxolane;triiodoneodymium
• 化学式: 3C₄H₈O*I₃Nd
• 分子量: 741.274
• InChiKey: KIFHXJKEUZXHCP-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  neodymium(III) iodide-tetrahydrofurane (1/3) 、 Potassium cyclooctatetraene dianion 以 四氢呋喃 为溶剂， 以51%的产率得到(η8-cyclooctatetraenyl)(iodo)tris(tetrahydrofurane)neodymium(III)
  参考文献：
  名称：

  Cyclooctatetraenyl-komplexe der frühen übergangsmetalle und lanthanoide

  摘要：

  The dimeric complexes [(COT)Ln(mu-O3SCF3)(THF)2]2 (Ln = Ce (1), Pr (2), Nd (3), Sm (4)) are easily prepared by treatment of anhydrous lanthanide(III) triflates with equimolar amounts of K2COT (COT = eta8-cyclooctatetraenyl(2-)). The reaction of lanthanide triiodides with K2COT affords monomeric complexes of the type (COT)Ln(I) (THF)3 (Ln = Nd (5), Sm (6)). Due to their increased solubility in polar organic solvents these new precursors offer preparative advantages over the previously used chloro derivatives [(COT)Ln(mu-Cl)(THF)2]2. The molecular structures of 3 and 5 have been determined by X-ray diffraction.

  DOI：

  10.1016/0022-328x(94)80090-1
• 作为产物：
  描述：

  四氢呋喃 、 三氢化钕 、 1,2-二碘乙烷 以 四氢呋喃 为溶剂， 生成 neodymium(III) iodide-tetrahydrofurane (1/3)
  参考文献：
  名称：

  The reaction of diiodoethane with neptunium and plutonium metals

  摘要：

  DOI：

  10.1016/s0020-1693(00)84076-1

文献信息

• Komplexkatalyse
  作者：Rudolf Taube、Steffen Maiwald、Joachim Sieler

  DOI：10.1016/s0022-328x(00)00858-5

  日期：2001.3

  stereospecific butadiene polymerization become accessible more easily. As a new bis(allyl)- and a new mono(allyl)neodymium(III) compound the neutral complex [Nd(π-C5Me5)(π-C3H5)2·Dioxan] (2a) and the cationic complex [Nd(π-C3H5)Cl(THF)5]B(C6H5)4·THF (3a) are described, respectively; both were characterized by X-ray crystal structure analysis. Whereas from 2a highly active catalyst systems for butadiene polymerization

  对于三（烯丙基）钕（III）化合物[钕（π-C 3 H ^ 5）3 ·二恶烷]（1A）报道的基本上更简单的合成通过Grignard方法。因此，更容易获得更容易获得的另外的烯丙基钕化合物，作为潜在的立体定向丁二烯聚合反应的络合物催化剂。作为一种新的双（烯丙基） -和一个新的单（烯丙基）钕（III）化合物中的中性配合物[Nd（下π-C 5我5）（π-C 3 H ^ 5）2 ·二恶烷]（2A）和所述阳离子络合物物[Nd（π-C 3 H ^ 5）氯（THF）5 ] B（C 6 ħ5）4 ·THF（3a）；两者均通过X射线晶体结构分析进行了表征。通过与适当的路易斯酸（如甲基铝氧烷（MAO））结合可以从2a获得用于丁二烯聚合的高活性催化剂体系，而3a被证明不适合用于催化剂的生成。简要讨论了有关催化结构-反应性关系的结论。
• Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes
  作者：Luis F. Sánchez-Barba、David L. Hughes、Simon M. Humphrey、Manfred Bochmann

  DOI：10.1021/om0505155

  日期：2005.10.1

  , 3 is converted into [Mg(THF)6][Sm(η3-C3H5)4]2·2THF (5), alongside Sm(η3-C3H5)2κ3-HC(MeCNC6H3iPr2-2,6)2}. The solid-state structures of 1 and 2 contain distorted trigonal-bipyramidal lanthanide centers with three η3-allyl ligands and distorted trigonal-bipyramidal magnesium centers with two η1-bonded allyls. Both metal centers are connected by bridging 1,4-dioxane molecules building a planar polymeric

  LnI 3（THF）n（Ln = La，n = 4; Ln = Y，n = 3.5）与3当量烯丙基MgI在THF / 1,4-二恶烷中的反应以中等收率进行反应，得到了意外的混合金属配合物[LN（η 3 -C 3 H ^ 5）3（μ -C 4 ħ 8 ö 2）·镁（η 1 -C 3 ħ 5）2（μ -C 4 ħ 8 ö 2）1.5 ] ∞（LN =拉1，Y 2）。与此相反，碘化钐给出包含一个新的烯丙基桥接阴离子，[镁（THF）的盐6 ] [钐2（η 3 -C 3 H ^ 5）6（μ - η 3：η 3 -C 3 H ^ 5） ] 2 ·甲苯（3），而碘化钕，得到[镁（THF）6 ] [钕（η 3 -C 3 H ^ 5）4 ] 2 ·2THF（4）在相同的反应条件下。在与弱质子酸如二酮亚胺2-（2,6-二异丙基苯基）氨基-4-（2,6-二异丙基苯基）亚氨基-2-戊烯反应时，3转化为[Mg（THF）6
• Sterically Hindered Lanthanide Allyl Complexes and Their Use as Single-Component Catalysts for the Polymerization of Methyl Methacrylate and ε-Caprolactone
  作者：Timothy J. Woodman、Mark Schormann、David L. Hughes、Manfred Bochmann

  DOI：10.1021/om0499097

  日期：2004.6.1

  initiate the rapid polymerization of ε-caprolactone. The anionic complexes 2, 3, 4, and [Y3-(η3-C3H3SiMe3-1)SiMe2}2μ-K(THF)}·(THF)n]∞ (6) are very active for both ε-caprolactone and methyl methacrylate polymerization at room temperature. The stereoselectivity is dependent on the solvent and the countercation, with lithium salts of 3 and 4 in THF producing syndio-rich poly(methyl methacrylate).

  K L 3的反应（L 3＝ 1，3-C 3 H 3（SiMe 3）2）与NdI 3（THF）3.5得到两种产物，L 3NdI 2（THF）1.25和（L 3）2 NdI（THF）2（1）。后者已经在晶体学上进行了表征。它具有扭曲的三角-双锥体结构，THF配体处于反位。YCl 3与2当量的ansa-双（烯丙基）配体K 2 [3-（C 3 H 3 SiMe 3 -1）2 SiPh 2 ]在四氢呋喃中反应，然后从乙醚中重结晶，得到[Y 3- （η 3 -C 3 H ^ 3森达3 -1）2 SIPH 2 } 2 μ-K}（THF）0.5（Et 2 O）1.5 ] ∞（2）为亮橙色固体。Cp的反应' ' 2 LnCl 2的Li（THF）2（CP''= 1,3-C 5 H ^ 3（森达3）2）; Ln为其中Y或Sm）[K 2 3-（η 3 -C 3 H ^ 3森达3 -1）2森达2 ]在THF导致配体再分配，得到[李（OET
• Synthese, Struktur und Reaktivität von Tris‐, Bis‐ und Mono(2,4‐dimethylpentadienyl)‐Komplexen des Neodyms, Lanthans und des Yttriums
  作者：Michael R. Kunze、Dirk Steinborn、Kurt Merzweiler、Christoph Wagner、Joachim Sieler、Rudolf Taube

  DOI：10.1002/zaac.200700056

  日期：2007.8

  neutral ligand complexes [Ln(η5-Me2C5H5)2X(L)] (Ln, X, L: Nd, Br, py; La, Cl, thf; Br, py; Y, Br, thf). Finally the possibilities for preparation of mono(2,4-dimethylpentadienyl)lanthanoid(III)-dibromid complexes are shown and the hexameric structure of the lanthanum complex [La6(η5-Me2C5H5)6Br12(thf)4] is proved by X-ray crystal structure analysis.

  通过三溴化物 LnBr3·nTHF 与钾化合物 K(Me2C5H5)(thf )n 在 THF 中的产量良好。结构表征是通过 X 射线晶体结构分析和 NMR 光谱进行的。tris 配合物可以转化为二聚体双 (2,4-二甲基戊二烯基) 配合物 [Ln2(η5-Me2C5H5)4X2] (Ln, X: Nd, Cl, Br, I; La, Br, I; Y, Br)通过与三卤化物 THF 溶剂化物在甲苯中以 2:1 的摩尔比反应。通常通过 X 射线晶体结构分析和 NMR 光谱确定所选化合物的结构和键合条件。溶液中存在的二聚体-单体平衡根据溶剂的供体强度通过核磁共振光谱进行研究，也可以通过制备相应的单体中性配体配合物 [Ln(η5-Me2C5H5)2X(L)] (Ln , X, L: Nd, Br, py; La, Cl, thf; Br, py; Y, Br, thf)。最后展示了制备单(2,
• Reduction of acetonitrile by neodymium diiodide: Molecular structure of [{(HNCMe)2MeCNH2}NdI(MeCN)5]I2 and [{(HNCMe)2MeCNH2}Nd(MeCN)6]I3
  作者：Anatoly A. Fagin、Svetlana V. Salmova、Georgy K. Fukin、Evgenii V. Baranov、Mikhail N. Bochkarev

  DOI：10.1016/j.ica.2007.02.015

  日期：2007.6

  The reaction of neodymium diiodide NdI2 (1) With acetonitrile is accompanied by C-C coupling and formation of bis(ethylimine)ethylamine/acetonitrile complexes [(MeC=NH)(2)CMeNH2]NdI(MeCN)(5)}I-2 (2) and [(MeC=NH)(2)CMeNH2]Nd(MeCN)(6)}I-3 (3). Yields of the products are 9% and 50%, respectively. Probable scheme of the complexes formation is discussed. Treatment of 3 with 2 equiv. of 1 in THF affords NdI3(THF)(3), hydrogen and monoiodide complex containing presumably bis(imide)amine ligand, NdI[(MeC=N)(2)CMeNH2]. The X-ray analysis revealed that in the molecule of 2 one I- anion is directly bonded to Nd3+ cation while two other I- anions are not in contact to the metal centre. The molecule of 3 is isostructural to previously obtained Dy and Tm analogues. All three I- anions in it are located away from Nd3+ cation. (C) 2007 Elsevier B.V. All rights reserved.