QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid
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 pa...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | zho |
| Published: |
Editorial Office of Journal of Nuclear and Radiochemistry
2022-04-01
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| Series: | He huaxue yu fangshe huaxue |
| Subjects: | |
| Online Access: | http://www.jnrc.org.cn/CN/10.7538/hhx.2022.YX.2021082 |
| _version_ | 1797220462410858496 |
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| author | NIE Jiang YANG Shu-ming LI Ming-ming YANG Ya-ya LIU Xiao-juan OUYANG Ying-gen XIAO Song-tao |
| author_facet | NIE Jiang YANG Shu-ming LI Ming-ming YANG Ya-ya LIU Xiao-juan OUYANG Ying-gen XIAO Song-tao |
| author_sort | NIE Jiang |
| collection | DOAJ |
| description | 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 with 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. |
| first_indexed | 2024-04-24T12:49:55Z |
| format | Article |
| id | doaj.art-6075f546d8ff4a3d8dd8ad528085b70f |
| institution | Directory Open Access Journal |
| issn | 0253-9950 |
| language | zho |
| last_indexed | 2024-04-24T12:49:55Z |
| publishDate | 2022-04-01 |
| publisher | Editorial Office of Journal of Nuclear and Radiochemistry |
| record_format | Article |
| series | He huaxue yu fangshe huaxue |
| spelling | doaj.art-6075f546d8ff4a3d8dd8ad528085b70f2024-04-06T05:48:46ZzhoEditorial Office of Journal of Nuclear and RadiochemistryHe huaxue yu fangshe huaxue0253-99502022-04-0144220721310.7538/hhx.2022.YX.2021082QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous AcidNIE Jiang0YANG Shu-ming1LI Ming-ming2YANG Ya-ya3LIU Xiao-juan4OUYANG Ying-gen5XIAO Song-tao6China Institute of Atomic EnergyChina Institute of Atomic EnergyChina Institute of Atomic EnergyChina Institute of Atomic EnergyChina Institute of Atomic EnergyChina Institute of Atomic EnergyChina Institute of Atomic EnergyIn 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 with 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.http://www.jnrc.org.cn/CN/10.7538/hhx.2022.YX.2021082hydrazinehydrazine’s derivativesnitrous acidqsaru/pu |
| spellingShingle | NIE Jiang YANG Shu-ming LI Ming-ming YANG Ya-ya LIU Xiao-juan OUYANG Ying-gen XIAO Song-tao QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid He huaxue yu fangshe huaxue hydrazine hydrazine’s derivatives nitrous acid qsaru/pu |
| title | QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid |
| title_full | QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid |
| title_fullStr | QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid |
| title_full_unstemmed | QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid |
| title_short | QSAR of Reaction Between Hydrazine and Its Derivatives With Nitrous Acid |
| title_sort | qsar of reaction between hydrazine and its derivatives with nitrous acid |
| topic | hydrazine hydrazine’s derivatives nitrous acid qsaru/pu |
| url | http://www.jnrc.org.cn/CN/10.7538/hhx.2022.YX.2021082 |
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