三水合阿莫西林抗生素的固态热光谱研究

D. Gálico, R. B. Guerra, A. O. Legendre, E. Schnitzler, R. Mendes, G. Bannach
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引用次数: 6

摘要

采用热重法(TG)、差热分析(DTA)、差示扫描量热法(DSC)和傅里叶变换红外光谱(IR)对阿莫西林进行了研究。建立了所研究化合物的热行为和物理性质,并用热红外光谱分析确定了分解产物。本研究采用Becke三参数杂交方法和LYP相关泛函,利用量子化学方法确定了分子结构。本工作中所进行的分子计算采用高斯09例程。理论计算帮助我们解释红外光谱,提供结构和物理化学信息。
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Solid state thermal and spectroscopic studies on the antibiotic amoxicillin trihydrate
Thermogravimetry (TG), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and Fourier transformed infrared spectroscopy (IR) were used to study amoxicillin trihydrate. The thermal behavior and physical properties of the studied compound were established and coupled TG-IR analyses were used to suggest some decomposition products. In this investigation, quantum chemical approach was used to determine the molecular structures using Becke three-parameter hybrid method and the Lee–Yang–Par (LYP) correlation functional. The performed molecular calculations in this work were done using the Gaussian 09 routine. The theoretical calculations helped us interpret the IR spectra, which supply structural and physicochemical information.
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