Preferential location of Ge atoms in polymorph C of beta zeolite (ITQ-17) and their structure-directing effect:: A computational, XRD, and NMR spectroscopic study

被引:127
作者
Sastre, G
Vidal-Moya, JA
Blasco, T
Rius, J
Jordá, JL
Navarro, MT
Rey, F
Corma, A
机构
[1] Univ Politecn Valencia, Inst Tecnol Quim, CSIC, Valencia 46022, Spain
[2] UAB, CSIC, Inst Ciencia Mat Barcelona, Bellaterra 08193, Catalunya, Spain
关键词
D O I
10.1002/anie.200290028
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ge-directed zeolites. Forcefield atomic simulations are used to investigate the location of the Ge atoms and the structure-directing agents (SDAs) in the Ge containing ITQ-17 zeolite (see picture). The Ge atoms are found to locate preferentially at the T1 sites which form double four-ring (D4R) units. A combined theoretical and experimental treatment has allowed us to prove the preferential location of Ge atoms in the double four-member rings of the polymorph C of Beta zeolite, and its corresponding structure-directing effect to be demonstrated.
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页码:4722 / 4726
页数:5
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