A quantitative shape analysis of organic templates employed in zeolite synthesis

被引：30

作者：

Boyett, RE ^{[1
]}

Stevens, AP ^{[1
]}

Ford, MG ^{[1
]}

Cox, PA ^{[1
]}

机构：

[1] UNIV PORTSMOUTH,CTR MOL DESIGN,PORTSMOUTH PO1 2DT,HANTS,ENGLAND

来源：

ZEOLITES | 1996年 / 17卷 / 5-6期

关键词：

templates; shape analysis; zeolite synthesis; QSAR;

D O I：

10.1016/S0144-2449(96)00073-5

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：

Structure analysis has been carried out on 160 organic templating agents known to synthesize zeolites from 27 framework types. Conformations were obtained by molecular mechanics energy minimization and ?he molecular principal axes of inertia plotted to produce three-dimensional shape-space diagrams. The results show a clear correlation between template shape and the zeolite product formed and give a unique insight into the relationship between large and small templates that produce the same product. This work highlights the potential importance of shape analysis as a strategy in template design. (C) Elsevier Science Inc. 1996

引用

页码：508 / 512

页数：5

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