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Title: Natural abundance 17O DNP NMR provides precise O–H distances and insights into the Brønsted acidity of heterogeneous catalysts

Abstract

Heterogeneous Brønsted acid catalysts are tremendously important in industry, particularly in catalytic cracking processes. Here we show that these Brønsted acid sites can be directly observed at natural abundance by 17O DNP surface-enhanced NMR spectroscopy (SENS). We additionally show that the O–H bond length in these catalysts can be measured with sub-picometer precision, to enable a direct structural gauge of the lability of protons in a given material, which is correlated with the pH of the zero point of charge of the material. As a result, experiments performed on materials impregnated with pyridine also allow for the direct detection of intermolecular hydrogen bonding interactions through the lengthening of O–H bonds.

Authors:
 [1];  [1];  [1];  [1];  [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1363633
Alternate Identifier(s):
OSTI ID: 1374912
Report Number(s):
IS-J-9274
Journal ID: ISSN 1433-7851
Grant/Contract Number:  
AC02-07CH11358; FY2015-MPRU-0812
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Name: Angewandte Chemie (International Edition); Journal Volume: 56; Journal Issue: 31; Journal ID: ISSN 1433-7851
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Perras, Frederic A., Wang, Zhuoran, Naik, Pranjali, Slowing, Igor I., and Pruski, Marek. Natural abundance 17O DNP NMR provides precise O–H distances and insights into the Brønsted acidity of heterogeneous catalysts. United States: N. p., 2017. Web. doi:10.1002/anie.201704032.
Perras, Frederic A., Wang, Zhuoran, Naik, Pranjali, Slowing, Igor I., & Pruski, Marek. Natural abundance 17O DNP NMR provides precise O–H distances and insights into the Brønsted acidity of heterogeneous catalysts. United States. doi:10.1002/anie.201704032.
Perras, Frederic A., Wang, Zhuoran, Naik, Pranjali, Slowing, Igor I., and Pruski, Marek. Fri . "Natural abundance 17O DNP NMR provides precise O–H distances and insights into the Brønsted acidity of heterogeneous catalysts". United States. doi:10.1002/anie.201704032. https://www.osti.gov/servlets/purl/1363633.
@article{osti_1363633,
title = {Natural abundance 17O DNP NMR provides precise O–H distances and insights into the Brønsted acidity of heterogeneous catalysts},
author = {Perras, Frederic A. and Wang, Zhuoran and Naik, Pranjali and Slowing, Igor I. and Pruski, Marek},
abstractNote = {Heterogeneous Brønsted acid catalysts are tremendously important in industry, particularly in catalytic cracking processes. Here we show that these Brønsted acid sites can be directly observed at natural abundance by 17O DNP surface-enhanced NMR spectroscopy (SENS). We additionally show that the O–H bond length in these catalysts can be measured with sub-picometer precision, to enable a direct structural gauge of the lability of protons in a given material, which is correlated with the pH of the zero point of charge of the material. As a result, experiments performed on materials impregnated with pyridine also allow for the direct detection of intermolecular hydrogen bonding interactions through the lengthening of O–H bonds.},
doi = {10.1002/anie.201704032},
journal = {Angewandte Chemie (International Edition)},
number = 31,
volume = 56,
place = {United States},
year = {Fri May 12 00:00:00 EDT 2017},
month = {Fri May 12 00:00:00 EDT 2017}
}

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