Theoretical modeling of infrared spectra of hydrogen-bonded crystals of salicylic acid

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• 作者：Marek Boczar ; Ł ; ukasz Boda and Marek J. Wó ; jcik
• 关键词：Salicylic acid ; Hydrogen bond ; Infrared spectra
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2006
• 出版时间：June 2006
• 年：2006
• 卷：64
• 期：3
• 页码：757-760
• 全文大小：146 K

文摘

A theoretical model for the infrared spectra in the OH stretching region of hydrogen-bonded salicylic acid is presented. Based on the model, infrared spectrum in the OH stretching region is calculated for salicylic acid and compared with the experimental one. The experimental and theoretical spectra are in good agreement.