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Double Proton Transfer Across a Table: The Formic Acid Dimer–Fluorobenzene Complex
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2021-10-14 , DOI: 10.1002/anie.202112787
Weixing Li 1, 2, 3 , Denis S. Tikhonov 1, 2 , Melanie Schnell 1, 2
Affiliation  

With fluorobenzene as a neighboring molecule, the protons of the formic acid dimer can still switch through quantum tunneling as they do in the pure formic acid dimer. Using a combined experimental and theoretical approach, Weixing Li, Denis S. Tikhonov, and Melanie Schnell present their Communication (DOI: 10.1002/anie.202108242) and reveal the following mechanism: the neighboring fluorobenzene does not affect the reaction barrier but decreases the tunneling rate of the double-proton transfer of formic acid dimer. The molecular view on the environment reorganization in this proton-transfer reaction is a step towards understanding these reactions in a complex environment.
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中文翻译:

跨表的双质子转移:甲酸二聚体-氟苯络合物

使用氟苯作为相邻分子,甲酸二聚体的质子仍然可以像在纯甲酸二聚体中那样通过量子隧道转换。使用实验和理论相结合的方法,Weixing Li、Denis S. Tikhonov 和 Melanie Schnell 展示了他们的通讯 (DOI: 10.1002/anie.202108242) 并揭示了以下机制:相邻的氟苯不影响反应势垒,但会降低隧道效应甲酸二聚体的双质子转移速率。对质子转移反应中环境重组的分子观点是理解复杂环境中这些反应的一步。
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更新日期:2021-10-14
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