High-resolution 17O NMR spectroscopy of structural water
Name
nihms-1033352.pdf
Description
Accepted version
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672.04 KB
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Author(s)
Keeler, Eric George
Michaelis, Vladimir K.
Wilson, Christopher Blake
Hung, Ivan
Wang, Xiaoling
Gan, Zhehong
Griffin, Robert Guy
Alternative Title
High-resolution [superscript 17]O NMR spectroscopy of structural water
Date Issued
April 2019
Journal
Journal of Physical Chemistry B
Publisher
American Chemical Society (ACS)
Citation
Keeler, Eric G., et al., "High-resolution 17O NMR spectroscopy of structural water." Journal of Physical Chemistry B 123, 14 (2019): p. 3061-67 doi 10.1021/ACS.JPCB.9B02277 ©2019 Author(s)
Version
Author's final manuscript
Abstract
The importance of studying site-specific interactions of structurally similar water molecules in complex systems is well known. We demonstrate the ability to resolve four distinct bound water environments within the crystal structure of lanthanum magnesium nitrate hydrate via [superscript 17]O solid state nuclear magnetic resonance (NMR) spectroscopy. Using high-resolution multidimensional experiments at high magnetic fields (18.8-35.2 T), each individual water environment was resolved. The quadrupole coupling constants and asymmetry parameters of the [superscript 17]O of each water were determined to be between 6.6 and 7.1 MHz, 0.83 and 0.90, respectively. The resolution of the four unique, yet similar, structural waters within a hydrated crystal via [superscript 17]O NMR spectroscopy demonstrates the ability to decipher the unique electronic environment of structural water within a single hydrated crystal structure.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
Francis Bitter Magnet Laboratory (Massachusetts Institute of Technology)
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1021/ACS.JPCB.9B02277
