neodimium(III) chloride * 2 tetrahydrofuran

• 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: neodimium(III) chloride * 2 tetrahydrofuran
• 英文别名: neodymium trichloride*2THF；Neodym(III)-chlorid * 2 Tetrahydrofuran；NdCl3(THF)2；NdCl3*2THF；Oxolane;trichloroneodymium；oxolane;trichloroneodymium
• 化学式: 2C₄H₈O*Cl₃Nd
• 分子量: 394.813
• InChiKey: OSQVTPUWIIDSDY-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 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：
  4

反应信息

• 作为反应物：
  描述：

  neodimium(III) chloride * 2 tetrahydrofuran 、 Me2Ge(C5Me4Li)2 以 四氢呋喃 为溶剂， 以38.6%的产率得到dimethylgermyl(bis(tetramethylcyclopentadienyl))NdCl2Li(THF)2
  参考文献：
  名称：

  镧系元素的有机金属化合物。64.二甲基锗双（四甲基环戊二烯基）卤化物和镧系元素的烷基衍生物的合成和x射线晶体结构

  摘要：

  Metathesis of Me2GeCl2 or Me2SnCl2 with 2 equiv of LiC5Me4H affords Me2Ge(C5Me4H)2 (1) and Me2Sn(C5Me4H)2 (2), respectively. The subsequent deprotonation of 1 with MeLi yields only the desired dilithium salt Me2Ge(C5Me4Li)2 (3) whereas 2 forms Me4Sn and two LiC5Me4H. The trichlorides of neodymium, samarium, holmium, and lutetium react with the dilithium salt 3 with the formation of Me2Ge(C5Me4)2LnCl2Li(THF)2 (Ln = Nd (4), Sm (5), Ho (6), Lu (7)). The reaction of 4 and 6 with LiCH(SiMe3)2 produces Me2Ge(C5Me4)2LnCH(SiMe3)2 (Ln = Nd (8), Ho (9)). The new compounds have been characterized by elemental analysis, mass and NMR spectra, as well as X-ray structural analysis of 5, 7, and 9. The halides 5 and 7 crystallize in the monoclinic space group P2(1)/c (No. 14) with a = 9.7284 (9), b = 19.397 (1), c = 16.610 (2) angstrom, beta = 98.963 (9)-degrees; Z = 4 or a = 9.578 (3), b = 19.218 (4), c = 16.525 (4) angstrom, beta = 99.73 (2)-degrees; Z = 4, respectively. Least-squares refinement led to a final R value of 0.020 (F(o) > 4-sigma-(F(o))) for 5554 independent reflections for 5 or of 0.028 (F(o) > 3-sigma-(F(o))) for 5822 independent reflections for 7. Compound 9 crystallizes in the monoclinic space group P2(1)/m (No. 11) with a = 9.2621 (8), b = 14.216 (2), c = 11.839 (2) angstrom, beta = 107.79 (1)-degrees, Z = 2, and R = 0.023 (F(o) > 4-sigma-(F(o))) for 2954 reflections. The structure of 9 shows a short Ho-C(methyl) contact of 2.774 (4) angstrom.

  DOI：

  10.1021/om00054a017
• 作为产物：
  描述：

  三氯化钕 在 四氢呋喃 作用下， 生成 neodimium(III) chloride * 2 tetrahydrofuran
  参考文献：
  名称：

  Tetrahydrofuranverbindungen der Seltenerdchloride

  摘要：

  DOI：

  10.1007/bf00900163

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。
• Catalytic activity of solvated and unsolvated lanthanide halides in Friedel–Crafts acylations
  作者：Denise Barbier-Baudry、Alain Dormond、Stéphanie Richard、Jean Roger Desmurs

  DOI：10.1016/s1381-1169(00)00285-5

  日期：2000.11

  Anhydrous lanthanide halides — chlorides and bromides — can act as homogeneous catalysts of Friedel–Crafts acylations. The catalytic activity is related to the solubility of these anhydrous salts. More soluble THF or dioxane (Diox.) neodymium and samarium adducts are more active catalysts.

  无水镧系元素卤化物（氯化物和溴化物）可以作为Friedel-Crafts酰化反应的均相催化剂。催化活性与这些无水盐的溶解度有关。更具溶解性的THF或二恶烷（Diox。）钕和sa加合物是更具活性的催化剂。
• Highly <i>cis</i>-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler−Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors
  作者：Wei Gao、Dongmei Cui

  DOI：10.1021/ja711146t

  日期：2008.4.1

  coordinating THF molecules, where the pincer ligand coordinates to the central metal ion in a kappaC:kappaN:kappaN' tridentate mode, adopting a meridional geometry. Complexes 1-6, 9-11, and 13 combined with aluminum tris(alkyl)s and [Ph3C][B(C6F5)4] established a homogeneous Ziegler-Natta catalyst system, which exhibited high activities and excellent cis-1,4 selectivities for the polymerizations of butadiene

  第一个芳基二亚胺NCN-钳式连接稀土金属二氯化物(2,6-(2,6- R2N=CH)2-C6H3)LnCl2(THF)2 (Ln = Y, R = Me (1), Et (2) , iPr (3); R = Et, Ln = La (4), Nd (5), Gd (6), Sm (7), Eu (8), Tb (9), Dy (10), Ho (11) )、Yb (12)、Lu (13)) 通过 2,6-(2,6- -R2N=CH)2- Li 和 LnCl3(THF)(1-3.5) 之间的金属转移成功合成。这些配合物是具有两个配位 THF 分子的同构单体，其中钳形配体以 kappaC:kappaN:kappaN' 三齿模式与中心金属离子配位，采用子午几何。配合物 1-6、9-11 和 13 与三（烷基）铝和 [Ph3C][B(C6F5)4] 结合建立了均相齐格勒-纳塔催化剂体系，表现出高活性和优异的顺式
• Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion
  作者：Hiroyasu Sugiyama、Ilia Korobkov、Sandro Gambarotta、Angela Möller、Peter H. M. Budzelaar

  DOI：10.1021/ic049820t

  日期：2004.9.1

  Nd atom antiferromagnetically coupled to a radical anion. By using the doubly deprotonated form of the diimino pyridine ligand [[2,6-[[2,6-(i-Pr)(2)C(6)H(5)]N-C=CH(2)](2)(C(5)H(3)N)](2-) (2) the corresponding trivalent complexes [[2,6-[[2,6-(i-Pr)(2)C(6)H(5)]N-C=CH(2)](2)(C(5)H(3)N)]Ln (THF)](mu-Cl)(2)[Li(THF)(2)].0.5 (hexane) [Ln = Nd (3), La (4)] were obtained and characterized. Reduction of these

  空前的Nd [2,6-[[2,6-（i-Pr）（2）C（6）H（5）] N = C（CH（3））]（2）（C（5）H （3）N）] NdI（2）（THF）（1）配合物的制备方法是：在2,6-[[2,6-（i-Pr）]存在下，用I（2）在THF中氧化金属Nd （2）C（6）H（5）] N ＝ C（CH（3））]（2）（C（5）H（3）N）。变量T处的磁行为清楚地表明，该络合物应视为反铁磁耦合至自由基阴离子的三价Nd原子。通过使用二亚氨基吡啶配体[[2,6-[[2,6-（i-Pr）（2）C（6）H（5）] NC = CH（2）]（2）的双去质子化形式（C（5）H（3）N）]（2-）（2）相应的三价络合物[[2,6-[[2,6-（i-Pr）（2）C（6）H（5 ）] NC = CH（2）]（2）（C（5）H（3）N）] Ln（THF）]（mu-Cl）（2）[Li（THF）（2）]。0.5（己烷）[Ln
• Enantiomerically Pure Constrained Geometry Complexes of the Rare‐Earth Metals Featuring a Dianionic N‐Donor Functionalised Pentadienyl Ligand: Synthesis and Characterisation
  作者：Katharina Münster、Ann Christin Fecker、Jan Raeder、Matthias Freytag、Peter G. Jones、Marc D. Walter

  DOI：10.1002/chem.202003170

  日期：2020.12.4

  report the preparation of enantiomerically pure constrained geometry complexes (cgc) of the rare‐earth metals bearing a pentadienyl moiety (pdl) derived from the natural product (1R)‐(−)‐myrtenal. The potassium salt 1, [Kpdl*], was treated with ClSiMe2NHtBu, and the resulting pentadiene 2 was deprotonated with the Schlosser‐type base KOtPen/nBuLi (tPen=CMe2(CH2Me)) to yield the dipotassium salt [K2(pdl*SiMe2NtBu)]

  我们报告了稀土金属的对映体纯约束几何配合物（cgc）的制备，该稀土金属带有衍生自天然产物（1 R）-（-）-myrtenal的戊二烯基部分（pdl）。钾盐1，[KPDL *]，用ClSiMe处理2 NH吨卜，将得到的戊二烯2是与去质子化施罗瑟型基极KO吨青霉素/ Ñ丁基锂（吨笔= CME 2（CH 2 Me）的）产生双钾盐[K 2（pdl * SiMe 2 N t Bu）]（3）。然而，3重排的THF溶液至其异构体3'由1,3--H移位，其拉长PDL和森达之间的桥2 Ñ吨由一个CH卜部分2单元。这对于成功形成具有附加卤化物，四硼氢化物，酰胺基和烷基官能团的各种单体C 1或二聚C 2对称稀土cgc配合物至关重要。所有化合物均已通过固态X射线衍射分析，溶液NMR光谱和元素分析进行​​了广泛表征。