QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid

NIE Jiang, YANG Shu-ming, LI Ming-ming, YANG Ya-ya, LIU Xiao-juan, OUYANG Ying-gen, XIAO Song-tao
2022 Journal of Nuclear and Radiochemistry  
In this paper, the half-reaction time of the reaction between hydrazine and its derivatives with nitrous acid is measured using spectrophotometry and stopped-flow injection device. Using Gaussian09 and HyperChem, hydrazine and its derivatives have been structurally optimized and some quantization parameters are calculated. Combining the half-reaction time and the quantization parameters, and using statistical regression analysis, QSAR model of the reaction between hydrazine and its derivatives
more » ... ith nitrous acid is established. The results show that total energy of molecules is the most important influencing factor in the reaction, and the half-reaction time increases with total energy of the molecule except for allyl hydrazine, the reaction rate decreases with the increase of total energy of the molecule.
doi:10.7538/hhx.2022.yx.2021082 doaj:6075f546d8ff4a3d8dd8ad528085b70f fatcat:cdbzwpv67ndefn5gz366abmpdu