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Temperature and hydration dependence of proton MAS NMR spectra in MCM-41: model based on motion induced chemical
Jaspreet Walia1, Joshua Crone, Jianzhen Liang
1Department of Physics and Astronomy, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
Abstract:
The proton MAS NMR spectra in MCM-41 at low hydration levels (less than hydration amounting to one water molecule per surface hydroxyl group) show complex proton resonance peak structures, with hydroxyl proton resonances seen in dry MCM-41 disappearing as water is introduced into the pores and new peaks appearing, representing water and hydrated silanol groups. Surface hydroxyl group-water molecule chemical exchange and chemical shift averaging brought about by a water molecule visiting different surface hydrogen bonding sites have been proposed as possible causes for the observed spectral changes. In this report a simple model based on chemical shift averaging, due to the making and breaking of hydrogen bonds as water molecules move on the MCM-41 surface, is shown to fully reproduce the NMR spectra, both as a function of hydration and temperature. Surface proton-water proton chemical exchange is not required in this model at low hydration levels.
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