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Citation: Zhihui Jia, Huiping Xing, Yuhu Li. Computational Chemical Experiments on the Discoloration Principle of Phenolphthalein Indicator[J]. University Chemistry, ;2023, 38(12): 235-241. doi: 10.3866/PKU.DXHX202304074 shu

Computational Chemical Experiments on the Discoloration Principle of Phenolphthalein Indicator

School of Materials Science and Engineering, Shaanxi Normal University, Xi'an 710119, China

Corresponding author: Zhihui Jia, jzh1988@snnu.edu.cn
Received Date: 21 April 2023

This study presents a computational chemistry experiment designed for junior undergraduates majoring in chemistry in the structural chemistry course, focusing on the discoloration principle of phenolphthalein indicator. The experiment serves as a fundamental investigation into discoloration reactions in the inorganic chemistry course. By employing the Gaussian program, the discoloration processes of phenolphthalein are explored. Through the analysis of macroscopic phenomena, such as changes in UV-Vis absorption spectra before and after discoloration, students gain insights into the mechanism of phenolphthalein discoloration from various microscopic perspectives. Additionally, the “class-micro-topic-flipped classroom” approach is employed to foster scientific innovation by incorporating knowledge extension training.
- Phenolphthalein indicator,
- UV-Vis absorption spectrum,
- Geometric structure,
- Natural population analysis (NPA) charge,
- Natural bond orbital (NBO)
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