Orientation-Dependent Proton Relaxation of Water Molecules Trapped in Solids: Crystallites with Long-Lived Magnetization | Zendy

Diego Carnevale | Zendy; Sina Marhabaie | Zendy; Philippe Pelupessy | Zendy; Geoffrey Bodenhausen | Zendy

Open Access

Orientation-Dependent Proton Relaxation of Water Molecules Trapped in Solids: Crystallites with Long-Lived Magnetization

Author(s) -

Diego Carnevale,

Sina Marhabaie,

Philippe Pelupessy,

Geoffrey Bodenhausen

Publication year - 2019

Publication title -

the journal of physical chemistry a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.756

H-Index - 235

eISSN - 1520-5215

pISSN - 1089-5639

DOI - 10.1021/acs.jpca.9b07303

Subject(s) - crystallite , anisotropy , magnetization , relaxation (psychology) , chemistry , spin–lattice relaxation , condensed matter physics , molecule , proton , nuclear magnetic resonance , magnetic field , materials science , molecular physics , crystallography , paramagnetism , physics , optics , psychology , social psychology , organic chemistry , quantum mechanics

The longitudinal spin-lattice relaxation properties of water molecules trapped in a static powdered polycrystalline sample of barium chlorate monohydrate are investigated by means of solid-state 1 H NMR spectroscopy. Different portions of the inhomogeneous Pake pattern that are associated with crystallites at different orientations with respect to the external magnetic field show either a mono- or a biexponential recovery. At high field (9.4 T), the chemical shift anisotropy is the main interaction that is responsible for the inhomogeneity of the relaxation rates. A theoretical description of rapid two-site hopping about the H-O-H bisector in the framework of Liouville space agrees very well with the experimental evidence. Numerical simulations predict a distribution of monoexponential time constants associated with individual single-crystal orientations. Overlapping signals give rise to biexponential recovery. This is confirmed experimentally by 1 H NMR spectra of static single crystals.

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