dichloro(1,2-bis(diphenylphosphino)ethane)nickel(II) dichloromethane solvate | 111548-87-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dichloro(1,2-bis(diphenylphosphino)ethane)nickel(II) dichloromethane solvate
• 英文别名: [Ni(1,2-bis(diphenylphosphino)ethane)Cl2]*CH2Cl2
• CAS: 111548-87-9
• 化学式: CH₂Cl₂*C₂₆H₂₄Cl₂NiP₂
• 分子量: 612.953
• InChiKey: MPDNRKDGZROAHH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.05
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  盐酸 、 Ni(0)(1,2-bis(diphenylphosphino)ethane)2 以 二氯甲烷 为溶剂， 生成 dichloro(1,2-bis(diphenylphosphino)ethane)nickel(II) dichloromethane solvate
  参考文献：
  名称：

  Davies, Sian C.; Henderson, Richard A.; Hughes, David L., Journal of the Chemical Society, Dalton Transactions, 1998, # 3, p. 425 - 431

  摘要：

  DOI：

文献信息

• Dimorphs of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)
  作者：Richard Busby、Michael B. Hursthouse、Penelope S. Jarrett、Christian W. Lehmann、K. M. Abdul Malik、Coral Phillips

  DOI：10.1039/dt9930003767

  日期：——

  calculated for a previously published crystal structure of [Ni(dppe)Cl2]·Ch2Cl2, thus identifying the form used in that work. Crystals of form A obtained from acetone were used for a single-crystal X-ray structure determination. Comparison of the molecular structures showed that both forms have the same chelate-ring conformation (δ) but differ in the orientations of the phenyl rings. There is a non-crystallographic

  合成并通过红外光谱法鉴定了[1,2-双（二苯基膦基）乙烷]二氯镍（II）[Ni（dppe）Cl 2 ]的两种已知形式A和B。光谱表明，形式A的对称性低于形式B的对称性。通过固态31 P NMR光谱和粉末X射线衍射也发现形式不同，但是溶液性质是相同的。[Ni（dppe）Cl 2 ]的二氯甲烷溶剂化物的红外光谱与晶型B相同，但由于CH 2 Cl 2具有较强的附加谱带。该样品的X射线衍射图与先前为[Ni（dppe）Cl 2 ]·Ch 2 Cl 2公布的晶体结构计算出的X射线衍射图相匹配，从而确定了该工作中使用的形式。形式的晶体甲从丙酮中得到的用于单晶X射线结构测定。分子结构的比较表明，两种形式均具有相同的螯合环构型（δ），但苯环的取向不同。晶型B中有一个非晶体学的双轴，这是晶型A所不存在的，这解释了后者的红外光谱中存在的其他谱带，固态31在区分这两种形式以及从混合物中区分出两种形式时，P NMR优于红外光谱。
• Diphosphine complexes of nickel: analogies in molecular structures and variety in crystalline arrangement
  作者：João A.S. Bomfim、Fabio P. de Souza、Carlos A.L. Filgueiras、Alexsandro G. de Sousa、Maria Teresa P. Gambardella

  DOI：10.1016/s0277-5387(03)00263-8

  日期：2003.6

  This work comprised the preparation of six complexes of Ni(II) and their study by spectroscopy and X-ray diffraction. These complexes are: [Ni(dppe)Cl-2]CH2Cl2 (1), [Ni(dppen)Cl-2] (II) [Ni(dppm)Br-2]CH2Cl2 (III), [Ni(dppe)(NCS)(2)] (IV), [Ni(dppen)I-2] (V), [Ni(dppp)Cl-2]CH2Cl2 (VI), where dppe=1,2-bis(diphenylphosphine)ethane, dppen=cis-1,2-bis(diphenylphosphine)ethene, dppm=bis(diphenylphosphine)methane, dppp=1,3-bis(diphenylphosphine)propane. The structures of complexes III-VI are unknown in the literature. Although the molecular structures of the six complexes present many similarities, their crystalline arrangements vary considerably. This is a feature not presented hitherto in previous work involving complexes of this type. In addition, a systematic spectroscopic study was undertaken on all six complexes. (C) 2003 Elsevier Science Ltd. All rights reserved.