对无水2H-化物的稳定性及其高溶解能力对强结合化合物的新见解
Huisheng Huang1, Jie Zhong2, Xiaoping Tan1
1Chongqing Key Laboratory of Inorganic Special Functional Materials, College of Chemistry and Chemical Engineering, Yangtze Normal University, Chongqing 408100, China.
Journal of the American Chemical Society
|May 21, 2020
概括
无水的1,3-二甲基化物 ([DMIm]F) 是稳定的,并通过与其反应溶解1,3,5-三氨基-2,4,6-三丁 (TATB). [DMIm]F中的水阻止了这种反应,阻碍了TATB的溶解.
科学领域:
- 材料科学
- 化学工程
- 计算化学
背景情况:
- 化物在各种科学领域至关重要, 但它们的有效性取决于水.
- 之前的研究表明无水1,3-二甲基化物 ([DMIm]F) 是不稳定的.
- 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) 的溶解性在常见溶剂中是有限的.
研究的目的:
- 调查大量无水F的稳定性.
- 为了合成无水性[DMIm]F
- 探索无水 [DMIm]F对TATB的溶解能力.
主要方法:
- 通过量子化学计算.
- 通过1,3-二甲基化和白银化物的反应合成.
- 波恩-奥本海默分子动力学 (BOMD) 模拟.
主要成果:
- 气相[DMIm]F是不稳定的,但无水体[DMIm]F是稳定的.
- 无水性[DMIm]F已经成功合成.
- 无水的[DMIm]F有效地溶解了TATB,与水性形式不同.
- F-离子与TATB反应,破坏键,使溶解成为可能.
- 水性[DMIm]F中的水分子形成了水化层,抑制了F-离子与TATB的相互作用.
结论:
- 无水性[DMIm]F是一种稳定的化合物,具有大量的溶解能力,例如TATB.
- 在无水[DMIm]F中TATB的高溶解度是由于离子和TATB之间的化学反应.
- 水含量通过干扰离子的反应性,对[DMIm]F的溶解能力产生重大影响.
更多相关视频
11:04Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
Published on: December 20, 2016
13.3K
12:05Preparation of Hydrophobic Metal-Organic Frameworks via Plasma Enhanced Chemical Vapor Deposition of Perfluoroalkanes for the Removal of Ammonia
Published on: October 10, 2013
15.9K
相关概念视频
02:45Alkyl Halides
19.3K
Structural Properties
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...
19.3K
03:13Intermolecular Forces
68.1K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
68.1K
02:28Intermolecular Forces in Solutions
38.3K
The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
38.3K
01:09Solubility Equilibria: Overview
1.3K
When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
Solubility is important in biological and environmental processes. A notable...
Solubility is important in biological and environmental processes. A notable...
1.3K
02:34Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
49.9K
Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
49.9K
02:42Aqueous Solutions and Heats of Hydration
17.2K
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
17.2K