Citation: Yu Liu, Jiming Zheng, Nayan Zongchen, Hong Wu, Wanqun Hu. Combining Infrared Spectroscopy Experiment with Quantum Chemical Calculations to Study Hydrogen Bond in Several Aliphatic Alcohol and CCl₄ Solutions[J]. University Chemistry, ;2023, 38(8): 216-224. doi: 10.3866/PKU.DXHX202210029 shu

Combining Infrared Spectroscopy Experiment with Quantum Chemical Calculations to Study Hydrogen Bond in Several Aliphatic Alcohol and CCl₄ Solutions

Yu Liu ¹ ,
Jiming Zheng ¹ ,
Nayan Zongchen ¹ ,
Hong Wu ^1,2,, ,
Wanqun Hu ^1,2,,

1.
School of Chemistry and Materials Science, University of Science and Technology of China, Hefei 230026, China;
2.
National Demonstration Center for Experimental Chemistry Education (University of Science and Technology of China), Hefei 230026, China

Corresponding author: Hong Wu, Wanqun Hu,
Received Date: 10 October 2022

Infrared spectroscopy has become a common method for analysis and characterization owing to its high sensitivity, high-speed measurement, and ability to obtain many information about functional groups. Although most of the experimental projects in existing textbooks focus on the qualitative and quantitative analysis of compounds, which are mainly based on infrared spectroscopy, there are few experimental investigations on infrared spectroscopy involving intermolecular hydrogen bonding and quantum chemical calculations. In this study, based on original infrared spectroscopy experiments, several common aliphatic alcohols were used as examples to investigate the infrared spectral characteristics of alcohol-carbon tetrachloride solutions with different percentages (V/V%). The hydrogen bond structures were explored in combination with quantum chemical calculations. The improved teaching method, combining macro and micro that is experimental phenomena and molecular structure respectively, may enable students to have a clearer understanding of the original frequency values of absorption peaks and the microscopic effect of intermolecular hydrogen bonds. In addition, it can significantly improve their interest in learning, broaden their horizons, and cultivate innovative thinking and critical thinking skills.
- Infrared spectroscopy,
- Quantum chemical calculation,
- Aliphatic alcohol,
- Hydrogen bond,
- Macro and micro
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Combining Infrared Spectroscopy Experiment with Quantum Chemical Calculations to Study Hydrogen Bond in Several Aliphatic Alcohol and CCl4 Solutions

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通讯作者: 陈斌, bchen63@163.com

Combining Infrared Spectroscopy Experiment with Quantum Chemical Calculations to Study Hydrogen Bond in Several Aliphatic Alcohol and CCl₄ Solutions