Crystal and molecular structures, IR and Raman spectra, vibrational dynamics of aquo 7-methyl-1H-[1,2,3]triazolo[4,5-c]pyridinium nitrate - a new composite material

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• 作者：Lucyna Dymińska^a ; ^{lucyna.dyminska@ue.wroc.pl} ; Khalil Salem M. Sheweshen^b ; Anna Gągor^c ; Jadwiga Lorenc^a ; Jerzy Hanuza^c
• 关键词：Aquo 7-methyl-1H-[1 ; 2 ; 3]triazolo[4 ; 5-c]pyridinium nitrate ; Crystal and molecular structures ; IR and Raman spectra ; DFT quantum chemical calculations
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 April 2017
• 年：2017
• 卷：1133
• 期：Complete
• 页码：9-17
• 全文大小：1081 K
• 卷排序：1133

文摘

7-methyl-1H-[1,2,3]triazolo[4,5-c]pyridinium nitrate (7MTPHcNO3·H2O) has been synthesized. The crystal structure of 7MTPHcNO3·H2O was studied. Vibrations of triazolo-pyridinium system in 7MTPHcNO3·H2O has been analyzed. IR and Raman spectra of 7MTPHcNO3·H2O have been reported. The discussion has been based on DFT quantum chemical analysis.