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Title: Computational description of key spectroscopic features of zeolite SSZ-13

Abstract

A theoretical model for protonated SSZ13 is used to explain experimentally measured OH-IR vibrational spectra and 27 Al-NMR and 29 Si-NMR spectra.

Authors:
ORCiD logo [1];  [2];  [3];  [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Department of Chemistry, University of Wisconsin–Madison, 53706 Madison, USA, Department of Chemical and Biological Engineering
  2. Department of Chemistry, University of Wisconsin–Madison, 53706 Madison, USA
  3. Department of Chemical and Biological Engineering, University of Wisconsin–Madison, 53706 Madison, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1557329
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Göltl, Florian, Love, Alyssa M., Schuenzel, Sarah C., Wolf, Patrick, Mavrikakis, Manos, and Hermans, Ive. Computational description of key spectroscopic features of zeolite SSZ-13. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CP03146D.
Göltl, Florian, Love, Alyssa M., Schuenzel, Sarah C., Wolf, Patrick, Mavrikakis, Manos, & Hermans, Ive. Computational description of key spectroscopic features of zeolite SSZ-13. United Kingdom. doi:10.1039/C9CP03146D.
Göltl, Florian, Love, Alyssa M., Schuenzel, Sarah C., Wolf, Patrick, Mavrikakis, Manos, and Hermans, Ive. Tue . "Computational description of key spectroscopic features of zeolite SSZ-13". United Kingdom. doi:10.1039/C9CP03146D.
@article{osti_1557329,
title = {Computational description of key spectroscopic features of zeolite SSZ-13},
author = {Göltl, Florian and Love, Alyssa M. and Schuenzel, Sarah C. and Wolf, Patrick and Mavrikakis, Manos and Hermans, Ive},
abstractNote = {A theoretical model for protonated SSZ13 is used to explain experimentally measured OH-IR vibrational spectra and 27 Al-NMR and 29 Si-NMR spectra.},
doi = {10.1039/C9CP03146D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = ,
volume = ,
place = {United Kingdom},
year = {2019},
month = {1}
}

Journal Article:
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This content will become publicly available on August 8, 2020
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Works referenced in this record:

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