Reduction transformation of nitroaromatic compounds by Zero-valent iron: characterization and QSAR
The characterization of reductive transformation of nitroaromatic compounds (NACs) by Zerovalent iron (ZVI) and the correlation between reductive transformation rates and molecular connectivity indexs (MCI) were investigated. NACs were reductively transformed to amine aromatic compounds by ZVI in an...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Zhejiang University Press
2006-01-01
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| Series: | 浙江大学学报. 农业与生命科学版 |
| Subjects: | |
| Online Access: | https://www.academax.com/doi/10.3785/1008-9209.2006.01.0031 |
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| Summary: | The characterization of reductive transformation of nitroaromatic compounds (NACs) by Zerovalent iron (ZVI) and the correlation between reductive transformation rates and molecular connectivity indexs (MCI) were investigated. NACs were reductively transformed to amine aromatic compounds by ZVI in anaerobic, NaHCO<sub>3</sub>-HAc solution (pH5.0). Reductive reactions were followed by pseudo-first-order kinetics. Competition experiments with binary mixtures of 4-chloronitrobenzene (4-CNB) and each one of the other NACs revealed the effect of different substituent groups on relative affinities for ZVI surface, and the activity order of various NACs was 3, 4-dichloronitrobenzene (3, 4-DCN) > 2-chloronitrobenzene (2-CNB) > 4-nitroaniline (4-NA) > 4-nitrophenol (4-NP) > 4-CNB> nitrobenzene (NB). The results showed significant quantitative structure-activity relationship (QSAR) between the first-order connectivity index <sup>1</sup>X<sup>v</sup>, the forth-order connectivity index <inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="graphic/1008-9209-2006-01-0031-I002.jpg"/>, non-dispersion forces factor Ax and the reductive transformation rate constants. |
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| ISSN: | 1008-9209 2097-5155 |