Romero-Montalvo Eduardo, Guevara-Vela José Manuel, Vallejo Narváez Wilmer Esteban, Costales Aurora, Pendás Ángel Martín, Hernández-Rodríguez Marcos, Rocha-Rinza Tomás
Institute of Chemistry, National Autonomous University of Mexico, Ciudad Universitaria, Coyoacán, 04510, Mexico City, Mexico.
Department of Analytical and Physical Chemistry, University of Oviedo, Oviedo, Asturias, Spain.
Chem Commun (Camb). 2017 Mar 23;53(25):3516-3519. doi: 10.1039/c6cc09616f.
State-of-the-art chemical bonding analyses show that water clusters have a bifunctional catalytic role in the formation of HSO in acid rain. The embedded HO monomers mitigate the change in the chemical bonding scenario of the rate-limiting step, reducing thereby the corresponding activation energy in accordance with Hammond's postulate. We expect that the insights given herein will prove useful in the elucidation of the catalytic mechanisms of water in inorganic and organic aqueous chemistry.
最新的化学键分析表明，水簇在酸雨形成HSO的过程中具有双功能催化作用。嵌入的HO单体减轻了限速步骤中化学键情况的变化，从而根据哈蒙德假说降低了相应的活化能。我们预计本文给出的见解将有助于阐明水在无机和有机水相化学中的催化机制。
