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以二甲苯的红外光谱教学为例,介绍了Gaussian软件在有机化合物波谱解析教学中的具体应用。通过Gaussian View对分子结构和分子振动的可视化,帮助学生对分子的空间结构、振动模式的指认与吸收峰的归属等有更感性的认识,有利于学生理解红外光谱的本质,有效提高学生的学习兴趣和积极性。同时,让学生了解量子化学软件在红外光谱解析中的应用,了解化学研究的前沿手段,有利于开阔学生视野,培养学生解决实际问题的能力。
Taking the teaching of X-ray infrared spectrum as an example, the application of Gaussian software in the spectral analysis of organic compounds is introduced. Through Gaussian View visualization of molecular structure and molecular vibration, to help students more sensitive to the spatial structure of molecules, the identification of vibration modes and the attribution of absorption peaks, etc., is conducive to students to understand the essence of infrared spectroscopy and effectively enhance students’ learning Interest and enthusiasm. At the same time, to enable students to understand quantum chemical software applications in the analysis of infrared spectroscopy to understand the cutting-edge means of chemical research is conducive to broaden students ’horizons and develop students’ ability to solve practical problems.