Abstract This paper explores three classic experiments that can be integrated with computational chemistry, including the preparation and infrared spectroscopic determination of linkage isomers of Co coordination complex, the preparation and magnetic moment determination of potassium trioxalatoferrate(Ⅲ), and the measurement of the ultraviolet-visible absorption spectrum of tryptophan. By analyzing the entry points for computational chemistry in each experiment, such as molecular configuration, infrared spectroscopy, spin states, ultraviolet-visible absorption spectroscopy, and frontier molecular orbitals, the feasibility and advantages of combining computational chemistry with experimental teaching are demonstrated. This combination provides more intuitive content display for non-chemistry majors, compensates for the shortcomings of traditional experimental teaching, and promotes a deeper understanding of chemical phenomena among students. This paper provides certain references and ideas for computational chemistry teaching.
LIU Nan-Nan. Feasibility and Advantages of Classic Experiments Integrated with Computational Chemistry[J]. Chinese Journal of Chemical Education, 2024, 45(18): 105-109.
