Abstract
Teaching material by visualization of the reaction mechanism of halogenation of cyclopentene was made for students to understand and realize the nature of the chemical reaction. The reaction in the gas phase was studied by B3LYP/LanL2DZ level quantum calculation. The calculation revealed that the reaction with halogen radical via homolytic dissociation of halogen molecule is preferred compared with halogen ions via heterolytic dissociation of halogen molecule. The results were visualized in diagrams with the geometries of atoms on molecular structures and potential energies of reactants, intermediate compounds, and products. The lesson using the diagrams was carried out in an undergraduate physical chemistry laboratory class of junior (third year) level students of teacher’s college, Tokyo Gakugei University. Students’ attitudes and answers to questionnaire suggested that they realized the nature of halogenation somewhat smoothly. Their answers overall revealed that the lesson using the visualized diagrams was one of the influential methodologies for enhancing students’ understanding and grasp of the nature of the chemical reaction.
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Ogawa, H., Nagashima, H., Ikuo, A. (2016). Visualization of Chemical Reaction Based on Quantum Calculation for Teaching Material—Addition of Halogens to Cyclopentene. In: Ramasami, P., Gupta Bhowon, M., Jhaumeer Laulloo, S., Li Kam Wah, H. (eds) Crystallizing Ideas – The Role of Chemistry. Springer, Cham. https://doi.org/10.1007/978-3-319-31759-5_16
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DOI: https://doi.org/10.1007/978-3-319-31759-5_16
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