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该文旨在验证在3-(4-苯胺基苯偶氮基)苯磺酸钠和对二甲氨基偶氮苯邻羧酸稀溶液中存在反顺异构现象,及取代基团变化对其性能的影响。通过自行搭建的模拟太阳光源照射反应溶液,对象化合物表现反顺异构化响应,采用UV-Vis(ultraviolet-visible spectroscopy)分光光度计测出不同时刻化合物的吸收光谱图,分析得出异构化反应为一级动力学反应。结合密度泛函理论(DFT)运用材料模拟软件Materials Studio建模,对化合物进行动力学模拟。结果表明,顺反构象间能量差约为40 kJ/mol。当改变苯环上氢原子取代基团,化合物储能密度得到提高,同时对其芳香性和异构化转化速率产生影响。
The purpose of this paper is to verify the existence of anti-isomeric phenomenon in the sodium 3- (4-anilinophenylazo) benzene sulfonate and p-dimethylaminoazobenzene orthocarboxylic acid dilute solution, The impact of performance. The target compounds exhibited the reaction of isostere isomerization by irradiating the reaction solution with a simulated solar light source constructed by themselves, and the absorption spectra of the compounds at different times were measured by UV-Vis spectrophotometer to obtain isomerization The reaction is a first-order kinetic reaction. Combined with density functional theory (DFT), material modeling software Materials Studio was used to simulate the compounds. The results show that the energy difference between the cis and anti conformation is about 40 kJ / mol. When the hydrogen atom substitution on the benzene ring is changed, the storage density of the compound is increased, and the aromaticity and the rate of isomerization are also affected.