Identification of the OH groups responsible for kinetic basicity on MgO surfaces by 1H MAS NMR

Autor: Jocelyne Maquet, Guylène Costentin, Hugo Petitjean, Michel Che, Hélène Lauron-Pernot, Christian Bonhomme, Céline Chizallet
Přispěvatelé: Laboratoire de Réactivité de Surface (LRS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie de la Matière Condensée de Paris (site Paris VI) (LCMCP (site Paris VI)), Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF (institution))-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Rok vydání: 2009
Předmět:
Zdroj: Journal of Catalysis
Journal of Catalysis, Elsevier, 2009, pp.175-179. ⟨10.1016/J.jcat.2009.09.003⟩
Journal of Catalysis, 2009, pp.175-179. ⟨10.1016/J.jcat.2009.09.003⟩
ISSN: 0021-9517
1090-2694
DOI: 10.1016/j.jcat.2009.09.003
Popis: Depending on the localization of hydroxyl groups on MgO surface irregularities, their topology and coordination can differ. In order to discriminate their reactivity, three MgO samples with different morphologies are hydroxylated at various levels. From 1 H MAS NMR three kinds of OH groups can be distinguished. It is shown that the catalytic activity of base sites in the conversion of 2-methylbut-3-yn-2-ol is governed by species giving a 1 H NMR signal at δ 1C H and O 2C H formed by water dissociation on steps and corners. Their reactivity is discussed considering charge and orbital analysis from DFT.
Databáze: OpenAIRE