Reactivity theory of zinc cation species in zeolites

被引：0

作者：

Van Santen, RA ^{[1
]}

Zhidomirov, GM ^{[1
]}

Shubin, AA ^{[1
]}

Yakovlev, AL ^{[1
]}

Barbosa, LAMM ^{[1
]}

机构：

[1] Eindhoven Univ Technol, Inorgan Chem & Catalysis Lab, Dept Chem Engn, NL-5600 MB Eindhoven, Netherlands

来源：

CATALYSIS BY UNIQUE METAL ION STRUCTURES IN SOLID MATRICES: FROM SCIENCE TO APPLICATION | 2001年 / 13卷

关键词：

DFT calculations; chabasite; ZSM-5; Zn; cationic positions; zinc oxide clusters; stability; methane adsorption; ethane dehydrogenation;

D O I：

暂无

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Various forms of zinc cation stabilisation in zeolite cavities were considered. Their interaction with light alkanes (methane, ethane) was studied using ab initio methods. We studied the relation between stability of a site and its catalytic activity. In addition to cationic positions formed by a zeolitic ring with two Al ions, the sites with distantly placed aluminiums were also studied. It was shown that the latter tend to form oxygen bridged zinc cationic pairs. Such sites, as well as small zinc oxide clusters, exhibit a different enhanced reactivity towards alkanes compared to single zinc ions in cationic positions.

引用

页码：187 / 204

页数：18

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