Advances in Life Science and Biotechnology

Mathematical reproduction of the inward vibrations of COOH bunch in amino-salicylic acids


DaRong Cheng, XiaoLang Chen, Shan Yuan and ZhuWenWei Ding

Our present work reports the IR spectra of amino substituted salicylic acids recorded by FTIR spectrometer and also simulated theoretically. The simulation was performed using GF matrix and AM1, PM3, DFT method. In this work, the following steps were taken: optimizing the geometry, computing the IR spectra and comparing it with experimental spectra. Assuming Cs point symmetry, vibrational assignments for the observed frequencies have been proposed. The spectra exhibit distinct features originating from low frequency vibrational modes caused by intra-molecular motion.


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