Dihydrogen in zeolite CaX: an inelastic neutron scattering studyRamirez-Cuesta, A.J., Mitchell, P.C.H., Ross, D.K., Georgiev, P.A., Anderson, P.A., Langmi, H.W. and Book, D. (2007) Dihydrogen in zeolite CaX: an inelastic neutron scattering study. Journal of Alloys and Compounds, 446-447. pp. 393-396. ISSN 0925-8388 Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1016/j.jallcom.2006.12.030 Abstract/SummaryWe report an inelastic neutron scattering (INS) study of the rotational–vibrational spectrum of dihydrogen sorbed by zeolite CaX. In the low energy (<200 cm−1) INS spectrum of adsorbed H2 we observe the rotational–vibrational spectrum of H2, where the vibration is that of the H2 molecule against the binding site (i.e. H2–X, not H–H). We have observed for the first time the vibrational overtones of the hydrogen molecule against the adsorption surface up to sixth order. These vibrations are usually forbidden in INS spectroscopy because of the selection rules imposed by the spin flip event required. In our case we are able to observe such a vibration because the rotational transition J(1 ← 0) convolutes the vibrational spectrum. This paper reports the effect for the first time.
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