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Published on: March 24, 2018
Comparative study of the hydrogen bonding interactions between ester-functionalized/non-functionalized
Yuxin Jiang1, Xianzhen Xu1, Mingzhu Wang1
1Shandong Sino-Japanese Center for Collaborative Research of Carbon Nanomaterials, College of Chemistry and Chemical Engineering, Instrumental Analysis Center of Qingdao University, Qingdao University, Qingdao 266071, China. zhouyu@qdu.edu.cn.
This study reveals how ester-functionalized ionic liquids (ILs) interact with DMSO. The ester group enhances hydrogen bonding, altering the microscopic structure of IL-DMSO mixtures.
Area of Science:
- Physical Chemistry
- Materials Science
Background:
- Microscopic properties of ester-functionalized ionic liquids (ILs) mixtures with co-solvents are understudied.
- Ionic liquids are often used with co-solvents in practical applications, necessitating microstructure analysis.
Purpose of the Study:
- To investigate hydrogen bonding interactions between an ester-functionalized IL, 1-acetoxyethyl-3-methylimidazolium tetrafluoroborate (AOEMIMBF4), and DMSO.
- To compare these interactions with a non-functionalized IL, 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF4), and DMSO.
Main Methods:
- Spectroscopic methods were employed to study the interactions.
- Quantum chemical calculations were utilized to analyze the hydrogen bonding and structural changes.
Main Results:
- Adding DMSO enhanced hydrogen bonding interactions, particularly with the C2-H site of the cation.
- DMSO formed simultaneous hydrogen bonds with both cations and anions.
- The presence of an ester group on the IL significantly enhanced these hydrogen bonding interactions.
Conclusions:
- The ester group in AOEMIMBF4 strengthens hydrogen bonding with DMSO compared to BMIMBF4.
- Spectroscopic changes in C2-H and C=O vibrations indicate a transformation from IL ion clusters to DMSO-complexes.
- The study elucidates the microstructural changes in ester-functionalized IL-DMSO mixtures, crucial for their application.
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