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Structural investigation of Silicalite-I loaded with n-hexane by X-ray diffraction, Si-29 MAS NMR, and molecular modeling

TitleStructural investigation of Silicalite-I loaded with n-hexane by X-ray diffraction, Si-29 MAS NMR, and molecular modeling
Publication TypeJournal Article
Year of Publication2002
AuthorsMorell, H, Angermund, K, Lewis, AR, Brouwer, DH, Fyfe, CA, Gies, H
JournalChemistry of Materials
Volume14
Pagination2192-2198
Date PublishedMay
Type of ArticleArticle
ISBN Number0897-4756
KeywordsADSORPTION, ALKANES, ENERGY-MINIMIZATION CALCULATIONS, LOCALIZATION, NAPHTHALENE, ORTHORHOMBIC FRAMEWORK, POWDER DIFFRACTION, SIMULATIONS, ZEOLITE H-ZSM-5, ZSM-5
Abstract

{The room temperature (298 K) structure of zeolite Silicalite-I loaded with approximately eight n-hexane molecules per unit cell was solved from twinned single-crystal X-ray diffraction (XRD) data in the monoclinic space group P12(1)/n1 with a = 19.8247(2) Angstrom
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