Meldrum酸衍生吡啶-2-氨基亚甲基的热光谱表征

A. B. Siqueira, L. D. Silva, A. J. Terezo, J. A. Teixeira
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引用次数: 1

摘要

合成了吡啶-2-氨基亚甲基meldrun酸衍生物的固体化合物,并用核磁共振(1H和13C NMR)、质谱(MS)、红外光谱(FTIR)、同时热重-差热分析(TG-DTA)和差示扫描量热法(DSC)对其进行了表征。研究结果为不同取代基化合物的热稳定性和热分解提供了信息。TG-DTA曲线显示441 ~ 978 K之间有两到三个阶段的质量损失。利用B3LYP方法和6-311G碱基对化合物的分子结构进行了优化。计算了优化后化合物的分子振动,并与实验值进行了比较。计算得到的分子振动频率一般高于相应的实验量,这是由于电子相关效应的综合作用。吡啶-2-氨基甲基梅尔德鲁姆酸衍生物的一般合成方法
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Caracterização Térmica e Espectroscópica de Piridin-2-ilaminometileno derivados dos Ácidos de Meldrum
Solid compounds of pyridin-2-ylaminomethylene meldrun’s acid derivatives was synthesized and characterized by nuclear magnetic resonance (1H and 13C NMR), mass spectrometry (MS), Infrared spectroscopy (FTIR), simultaneous thermogravimetry-differential thermal analysis (TG-DTA) and differential scanning calorimetry (DSC). The results provided information on the thermal stability and thermal decomposition of the compounds with different substituent groups. The TG-DTA curves show mass losses in two or three steps between 441-978 K. The molecular geometry of the compounds were optimized using B3LYP method and 6-311G basis set. The molecular vibration of the optimized compounds was calculated in comparison with the experimental values. The molecular vibration frequencies calculated are generally higher than the corresponding experimental quantities, and it are due to a combination of effects of electronic correlation. General procedure for the synthesis of pyridyl-2-aminomethylene Meldrum’s acid derivatives
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