[1-decyl-3-methylimidazolium][FeCl4] | 1010075-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1-decyl-3-methylimidazolium][FeCl4]
• 英文别名: [C10mim][FeCl4]
• CAS: 1010075-51-0
• 化学式: C₁₄H₂₇N₂*Cl₄Fe
• 分子量: 421.041
• InChiKey: NTCWLFSACQMTSZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  6.21
• 重原子数：
  21.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1-氯癸烷 反应 48.0h， 生成 [1-decyl-3-methylimidazolium][FeCl4]
  参考文献：
  名称：

  Properties and catalytic activity of magnetic and acidic ionic liquids: Experimental and molecular simulation

  摘要：

  The exploitation of dual functional magnetic and acidic ionic liquids (MAILs) for hydrolysis of cellulose to platform chemicals can solve some practical challenges through easy separation of products and efficient catalyst recyclability. In this work, seven C(n)mim/FeCl4 MAILs were synthesized and investigated with combined experimental and molecular dynamics. The MAILS contained FeCl4- anions and exhibited a typical hard magnetic materials behavior with rather strong magnetic susceptibilities. These MAILS were stable up to 250-310 degrees C, the decomposition was started up at 250/310-480-810 degrees C in two steps with the formation of the undecomposed residue. The Gibbs energy for the reaction of glucose/xylose conversion to 5-hydroxymethylfurfural by metal chlorides in the C(n)mimCl ionic liquid was studied using the density functional theory calculations and the results that C(3)mim/WCl3 may be the most hopeful catalyst. The MAILs have the potential to open up promising new catalytic systems because of their easy product separation and efficient catalyst recyclability. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carbpol.2014.01.071

文献信息

• Tunable LCST-type phase behavior of [FeCl4]--based ionic liquids in water
  作者：Yuanchao Pei、Yuan Cao、Yanjie Huang、Xinxin Song、Huiyong Wang、Yuling Zhao、Jianji Wang

  DOI：10.1007/s11426-016-5577-0

  日期：2016.5

  In this work, 16 kinds of [FeCl4]--based magnetic ionic liquids (ILs) with different cation structures have been designed and synthesized, and their structures are characterized by IR and Raman spectroscopy. Then the lower critical solution temperature (LCST)-type phase behavior of these magnetic ILs in water is investigated as a function of concentration. It is shown that cation structure, alkyl chain length and molar ratio of FeCl3/chloride IL have a significant influence on the LCST of the mixtures. The phase separation temperature can be tuned efficiently by these factors. Meanwhile, the LCST-type phase separation process is also investigated by dynamic light scattering. The results support the mechanism that the hydrogen bonds of the [FeCl4]- anion with water have been gradually disrupted to form ILs aggregates with increasing temperature. In addition, the stability of the ILs in water is also examined in some details. These LCST-type phase separation systems may have potential applications in extraction and separation techniques at room temperature.

  本研究设计并合成了 16 种具有不同阳离子结构的[FeCl4]基磁性离子液体（ILs），并利用红外光谱和拉曼光谱对其结构进行了表征。然后研究了这些磁性离子液体在水中的低临界溶液温度（LCST）型相行为与浓度的函数关系。结果表明，阳离子结构、烷基链长度和 FeCl3/chloride IL 的摩尔比对混合物的 LCST 有显著影响。相分离温度可通过这些因素进行有效调节。同时，还利用动态光散射对 LCST 型相分离过程进行了研究。结果支持[FeCl4]-阴离子与水的氢键随着温度升高而逐渐断裂形成 ILs 聚集体的机理。此外，还详细研究了 ILs 在水中的稳定性。这些 LCST 型相分离系统可能会在室温下的萃取和分离技术中得到潜在应用。
• Magnetic Control over Liquid Surface Properties with Responsive Surfactants
  作者：Paul Brown、Alexey Bushmelev、Craig P. Butts、Jing Cheng、Julian Eastoe、Isabelle Grillo、Richard K. Heenan、Annette M. Schmidt

  DOI：10.1002/anie.201108010

  日期：2012.3.5

  Droplet attraction: Surfactants responsive to magnetic fields are reported for the first time. This new class of magnetic ionic liquid surfactants (MILSs; see picture) shows remarkable effects on surface and interfacial tension and allows access to magneto‐responsive emulsions and new methods of separation, recovery, catalysis, and potential magnetophoretic applications.

  液滴吸引：首次报道了对磁场有响应的表面活性剂。这类新型的磁性离子液体表面活性剂（MILSs；参见图片）在表面和界面张力上显示出显着的效果，并允许使用磁响应乳液以及分离，回收，催化和潜在磁泳应用的新方法。