1H-NMR STUDY OF HYDROGEN INTERCALATED IN β-ZIRCONIUM NITRIDE CHLORIDE

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Abstract
Hydrogen is taken up by a layer structured compound β-ZrNCl during its chemical vapor transport with NH4Cl in a sealed silica tube. The transported sample can be further hydrogenated by hydrogen spillover, and dehydrogenated by oxidation with Cl2 and KMnO4. The infrared absorption spectra indicate that the hydrogen is taken up in the double ZrN layer of β-ZrNCl, coordinating to a nitrogen atom. The second moments of 1H-NMR spectra suggest the formation of hydrogen pairs in β-ZrNCl. A motional line narrowing of the 1H-NMR spectrum was observed at temperatures around 200 K. The activation energy for the jumping motion of the hydrogen was determined to be 10.6 kJ/mol from the temperature dependence of the spin-lattice relaxation time. A possible structural model for the location of hydrogen was proposed.