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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Experimental and Theoretical Thermochemistry of the Isomers 3-and 4-Nitrophthalimide
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Experimental and Theoretical Thermochemistry of the Isomers 3-and 4-Nitrophthalimide

机译：实验和理论热化学的异构体3-和4-硝基亚胺酰亚胺

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摘要

This work presents a thermochemical study of two derivatives of phthalimide: the isomers 3-nitrophthalimide and 4nitrophthalimide. The enthalpies of formation for these compounds in the solid phase were obtained by combustion calorimetry. Using the thermogravimetry technique, the enthalpies of vaporization were obtained. The enthalpies of sublimation were calculated from enthalpies of fusion and vaporization. From experimental data and by ab initio methods, the enthalpies of formation in the gas phase were calculated. With these results, it was possible to determine their relative stability, and it was found that 4-nitrophthalimide is more stable than its isomer 3-nitrophthalimide. This tendency is similar to that of 3-nitrophthalic anhydride and 4-iiitrophthalic anhydride, as reported in a previous work by our research group. The enthalpy of isomerization was also obtained, and a good correlation with that of phthalic anhydride derivatives was found. Finally, with the values obtained, the enthalpic difference resulting when the imide group is substituted by an anhydride group was determined.
机译：该工作介绍了对邻苯二甲酰亚胺的两种衍生物的热化学研究：异构体3-硝基亚酰亚胺和4硝基亚胺酰亚胺。通过燃烧量热法得到固相中的这些化合物的形成焓。利用热重量测定技术，获得蒸发的焓。从融合焓和蒸发的焓计算升华焓。从实验数据和AB Initio方法，计算气相中的形成焓。通过这些结果，可以确定它们的相对稳定性，并且发现4-硝基酰亚胺比其异构体3-硝基酰亚胺更稳定。如我们研究组的先前工作中报道，这种趋势类似于3-硝基邻苯甲酸酐和4- IIITOLOPHalic酸酐。还获得了异构化的焓，发现了与邻苯二甲酸酐衍生物的良好相关性。最后，通过获得的值，确定当酰亚胺基被浸润基团取代时产生的焓差异。

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