预测气相中 N,N-二甲基肼转化新产物的热力学特性

IF 0.7 4区化学 Q4 CHEMISTRY, PHYSICAL

Russian Journal of Physical Chemistry A Pub Date : 2024-09-11 DOI:10.1134/s0036024424701498

A. E. Karnaeva, I. V. Minenkova, O. I. Grinevich, Yu. V. Minenkov, A. A. Otletov, A. N. Stavrianidi, A. K. Buryak

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引用次数: 0

摘要

摘要计算了 N,N-二甲基肼转化新产物的热力学特性，其值可用于可靠地识别这些化合物并预测其保留期。研究首次使用理想气体-刚性旋转器-谐波振荡器近似法来预测气相中的熵，并使用费勒-彼得森-迪克森方法来获得所考虑化合物在气相中的可靠形成焓。所考虑的异构三唑衍生物在反相高效液相色谱条件下的保留与所获得的热力学特征值有很好的相关性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Predicting the Thermodynamic Characteristics of New Products of N,N-Dimethylhydrazine Transformation in the Gas Phase

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Predicting the Thermodynamic Characteristics of New Products of N,N-Dimethylhydrazine Transformation in the Gas Phase

Abstract

Thermodynamic characteristics are calculated for new products of the transformation of N,N‑dimethylhydrazine, the values of which can be used to reliably identify these compounds and predict their periods of retention. For the first time, the ideal gas–rigid rotator–harmonic oscillator approximation is used to predict entropies in the gas phase, and the Feller–Peterson–Dixon approach is used to obtain reliable enthalpies of formation in the gas phase for the considered compounds. Retention of the considered isomeric triazole derivatives under conditions of reverse phase high-performance liquid chromatography correlates well with the obtained values of thermodynamic characteristics.

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来源期刊

Russian Journal of Physical Chemistry A 化学-物理化学

CiteScore

1.20

自引率

14.30%

发文量

376

审稿时长

5.1 months

期刊介绍： Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.