相关实验视频
Updated: Sep 10, 2025

06:15
Preparation of Binary and Ternary Deep Eutectic Systems
Published on: October 31, 2019
12.1K
基于proline-carboxylic酸的疏水性深层乳液溶剂:热物理特性和DFT结构见解
Samaresh Maharana1,2, Rajat Rajiv Maharana3, Kousik Samanta3
1Department of Chemistry, Institute of Technical Education and Research (ITER), Siksha 'O' Anusandhan Deemed to be University, Khandagiri Square, Bhubaneswar 751030, Odisha, India.
ACS omega
|August 25, 2025
概括
基于l-proline的新型疏水深溶剂 (HDES) 显示出稳定的相互作用和有利的特性. 这些可调节溶剂为各种应用提供了传统有机溶剂的有希望的替代品.
科学领域:
- 绿色化学
- 材料科学
- 计算化学
背景情况:
- 防水深度溶解剂 (HDES) 作为传统有机溶解剂的环保替代品越来越受到关注.
- 它们的低水溶性和适应性结构使它们适用于广泛的应用.
- 传统的有机溶剂带来环境和健康风险,需要开发可持续的替代品.
研究的目的:
- 合成和描述基于l-proline-carboxylic酸的HDES.
- 研究这些新型HDES的热物理特性.
- 使用计算方法阐明结构和电子特性.
主要方法:
- 基于l-proline-carboxylic acid的HDES的合成
- 使用1H NMR,13C NMR和FTIR进行光谱表征.
- 测量热物理性质,包括密度,介电常数,导电率和折射率.
- 密度函数理论 (DFT) 计算用于几何优化,HOMO-LUMO分析,QTAIM和NCI分析.
主要成果:
- 三种基于l-proline的HDES的成功合成和表征.
- 热物理性质的全面分析揭示了有利的特性.
- DFT计算提供了关于分子稳定性,电子性质和分子间相互作用的见解.
- l-proline:HexA表现出最高的稳定性,稳定能量为-24.453 kcal mol-1.
结论:
- 基于l-proline的HDES具有稳定的分子间相互作用和有利的电子特性.
- 研究的HDES显示出有利的热物理特性.
- 这些发现突显了基于l-proline的HDES在各种应用中作为可持续和有效的替代品的潜力.
相关概念视频
Entropy and Solvation
7.2K
The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
7.2K
Physical Properties of Carboxylic Acid Derivatives
2.7K
Intermolecular forces dictate several physical properties such as boiling points, melting points, solubilities, and so forth. They are classified into four types: ionic forces, hydrogen bonds, dipole–dipole forces, and dispersion forces. Ionic forces are the strongest, while dispersion forces are the weakest.
Among the carboxylic acid derivatives, the boiling points of acid chlorides and esters are very similar and are the lowest in the series. Acid anhydrides have slightly higher boiling...
Among the carboxylic acid derivatives, the boiling points of acid chlorides and esters are very similar and are the lowest in the series. Acid anhydrides have slightly higher boiling...
2.7K
Physical Properties of Carboxylic Acids
5.4K
Carboxylic acids with lower molecular weight exhibit a sharp and unpleasant odor. They also have higher boiling and melting points than analogous compounds, such as aldehydes, ketones, and alcohols.
5.4K
Solvating Effects
7.7K
An understanding of the solvating effect helps rationalize the relation between solvation and acidity of the compound. In addition, this also explains the relative stability of conjugate bases for compounds with different pKa values. This lesson details, in-depth, the principle of solvating effects. The strength of an acid and the stability of its corresponding conjugate base are determined using pKa values. This observed relationship is a consequence of solvation, which is the interaction...
7.7K
Physical Properties of Ethers
7.4K
Overview
An ether molecule has a net dipole moment due to the polarity of C–O bonds. Subsequently, boiling points of ethers are lower than those of alcohols of comparable molecular weight and slightly higher than those of hydrocarbons of comparable molecular weight (Table 1).
Ethers can act as hydrogen bond acceptors, making them more water-soluble than hydrocarbons, but since ethers cannot act as hydrogen bond donors, they are much less soluble in water than alcohols. Ethers are considered...
An ether molecule has a net dipole moment due to the polarity of C–O bonds. Subsequently, boiling points of ethers are lower than those of alcohols of comparable molecular weight and slightly higher than those of hydrocarbons of comparable molecular weight (Table 1).
Ethers can act as hydrogen bond acceptors, making them more water-soluble than hydrocarbons, but since ethers cannot act as hydrogen bond donors, they are much less soluble in water than alcohols. Ethers are considered...
7.4K
Intermolecular Forces and Physical Properties
22.5K
22.5K

