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THE SYNTHESIS AND CHARACTERIZATION OF [GA]ZSM-5 BY NMR
SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY
by
Cara Leann Malolepsy
A Thesis Presented to the
FACULTY OF THE GRADUATE SCHOOL
UNIVERSITY OF SOUTHERN CALIFORNIA
In Partial Fulfillment of the
Requirements for the Degree
MASTER OF SCIENCE
(CHEMISTRY)
May 2008
Copyright 2008 Cara Leann Malolepsy
Object Description
| Title | The synthesis and characterization of [Ga]ZSM-5 by NMR spectroscopy and density functional theory |
| Author | Malolepsy, Cara Leann |
| Author email | maloleps@usc.edu |
| Degree | Master of Science |
| Document type | Thesis |
| Degree program | Chemistry |
| School | College of Letters, Arts and Sciences |
| Date defended/completed | 2008-03-18 |
| Date submitted | 2008 |
| Restricted until | Unrestricted |
| Date published | 2008-04-16 |
| Advisor (committee chair) | Haw, James |
| Advisor (committee member) |
Hammond, Doug Wittig, Curt |
| Abstract | In this work, a combination of methods, predominantly solid state nuclear magnetic resonance (NMR), is used to characterize the properties of a solid acid material. Solid state NMR was used to determine the degree of proton transfer from the acid site to an adsorbed base molecule. Theoretical models of these interactions were constructed and computational calculations were used in conjunction with experiment to determine the theoretical structure bond distances, structural geometries, and relative energies. The theoretical models were also used to predict NMR parameters subsequently used to simulate the NMR line shapes.; The first chapter of this thesis provides an introduction to the materials and techniques used including solid-state magic angle spinning (MAS) NMR and Density Functional Theory (DFT). The second chapter expands on the first chapter through the experimental and theoretical investigation of the effect of proton transfer on the 71Ga line shape in a gallium substituted zeolite catalyst. |
| Keyword | NMR; DFT; [Ga]ZSM-5 |
| Language | English |
| Part of collection | University of Southern California dissertations and theses |
| Publisher (of the original version) | University of Southern California |
| Place of publication (of the original version) | Los Angeles, California |
| Publisher (of the digital version) | University of Southern California. Libraries |
| Type | texts |
| Legacy record ID | usctheses-m1131 |
| Rights | Malolepsy, Cara Leann |
| Repository name | Libraries, University of Southern California |
| Repository address | Los Angeles, California |
| Repository email | http://www.usc.edu/isd/libraries/services/ask_a_librarian/email/ |
| Filename | etd-Malolepsy-20080416 |
| Archival file | uscthesesreloadpub_Volume44/etd-Malolepsy-20080416.pdf |
Description
| Title | Page 1 |
| Full text | THE SYNTHESIS AND CHARACTERIZATION OF [GA]ZSM-5 BY NMR SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY by Cara Leann Malolepsy A Thesis Presented to the FACULTY OF THE GRADUATE SCHOOL UNIVERSITY OF SOUTHERN CALIFORNIA In Partial Fulfillment of the Requirements for the Degree MASTER OF SCIENCE (CHEMISTRY) May 2008 Copyright 2008 Cara Leann Malolepsy |
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