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High-Resolution 17O NMR Spectroscopy of Structural Water
journal contribution
posted on 2019-03-18, 00:00 authored by Eric G. Keeler, Vladimir K. Michaelis, Christopher B. Wilson, Ivan Hung, Xiaoling Wang, Zhehong Gan, Robert G. GriffinThe 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 17O 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 17O 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 17O NMR spectroscopy demonstrates the ability to decipher
the unique electronic environment of structural water within a single
hydrated crystal structure.