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Para-selective nitration of bromobenzene catalyzed by Hβ zeolite with NO2 and its theoretical studies

Journal 2022 · IF 3.134 · 48(3): 1095-1109 · 发表于 2022 年 1 月 12 日
作者: Deng Renjie,Zeng Manlin,Tian Yao
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摘要

A novel heterogeneous catalytic system was developed for the preparation of para -nitrobromobenzene ( p -NBr) with nitrogen dioxide (NO 2 ) as nitrating agent in the presence of oxygen (O 2 ). By applying Hβ zeolite as the catalyst, p -NBr can be obtained with high conversion (85.7%) and selectivity (91.7%). In addition, it can be recycled at least five times without a significant decrease in catalytic activity, which demonstrates its high efficiency, good stability and regenerability. Meanwhile, DFT study explained the regioselectivity for the nitronium (NO 2 + ) nitration via electrophilic process, which support the experimental conclusion. Graphical abstract