Regioselective Nitration of Aromatics with Nanomagnetic Solid Superacid SO42−/ZrO2‐MxOy‐Fe3O4 and Its Theoretical Studies
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Abstract
Abstract A series of micro‐ and nanosulfated zirconia loaded on Fe 3 O 4 or other metal oxides (SO 4 2− /ZrO 2 ‐M x O y ‐Fe 3 O 4 (M=Ti 4+ , V 5+ , and Zn 2+ )) was prepared, characterized, and used in nitration. The nitration conditions with these solid superacids were then optimized to achieve the best regioselectivity and improve the performances of the catalysts as well. In the experimental results, SZTF (SO 4 2− /ZrO 2 ‐TiO 2 ‐Fe 3 O 4 ) showed excellent catalytic activity and it increased the surface area of SO 4 2− /ZrO 2 by up to 15 %. The increase not only facilitated the generation of NO 2 + , but also provided more opportunities for metal ions to interact with aromatic compounds. With chlorobenzene as substrate, theoretical research on its geometric parameters, electron clouds, and electron spin density was used to investigate the interaction between transition metals and chlorobenzene.
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