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

被引：40

作者：

Chizallet, Celine ^{[1
,2
]}

Petitjean, Hugo ^{[1
,2
]}

Costentin, Guylene ^{[1
,2
]}

Lauron-Pernot, Helene ^{[1
,2
]}

Maquet, Jocelyne ^{[3
,4
]}

Bonhomme, Christian ^{[3
,4
]}

Che, Michel ^{[1
,2
]}

机构：

[1] Univ Paris 06, UMR 7609, Lab React Surface, F-75005 Paris, France

[2] CNRS, UMR 7609, Lab React Surface, F-75005 Paris, France

[3] Univ Paris 06, UMR 7574, Lab Chim Mat Condensee, F-75005 Paris, France

[4] CNRS, UMR 7574, Lab Chim Mat Condensee, F-75005 Paris, France

来源：

JOURNAL OF CATALYSIS | 2009年 / 268卷 / 01期

关键词：

H-1 MAS NMR; MgO; Surface hydroxyl groups; Basicity; Methylbutynol; Catalysis; Spectroscopy; THERMODYNAMIC BRONSTED BASICITY; HYDROXYL-GROUPS; PHOTOLUMINESCENCE SPECTRA; ALDOL CONDENSATION; ACTIVE-SITES; CATALYSTS; OXIDE; COORDINATION; ASSIGNMENT; REACTIVITY;

D O I：

10.1016/j.jcat.2009.09.003

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 H-1 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 H-1 NMR signal at delta < -0.7 ppm, assigned to low coordinated O1CH and O2CH formed by water dissociation on steps and corners. Their reactivity is discussed considering charge and orbital analysis from DFT. (C) 2009 Elsevier Inc. All rights reserved.

引用

页码：175 / 179

页数：5

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