The proton NMR dipolar interaction Hamiltonian is set up for the model of planar ‘coupled water pair’ clusters in disordered solids. The Hamiltonian, when analytically solved, leads to interesting predictions of structured dipolar lineshapes when (a) the four protons are tightly coupled and (b) when the dipolar interaction is modulated by water molecules flipping between fixed directions. Detailed features of the line positions and intensities are worked out for both these models, and a suitable formulation is presented for simulating powder lineshapes in a variety of experimental situations.
Volume 134, 2022
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