Abstract
Neutron spectra of hydrogen and hydrogen–nitrogen mixtures in the second-stage caesium graphite intercalation compound C24Cs(H2)1, C24Cs(H2)2 and C24Cs(H2)1(N2)x, where x= 0.18, 0.45 and 1.00, in the librational energy region 10< ΔE/meV <200 (80–1600 cm–1) are reported. The results confirm the two-site absorption model deduced from earlier tunnelling data, but indicate a cos 2θ potential with axial symmetry. The barriers to rotation are 51 and 78 meV (4.9 and 7.5 kJ mol–1) in the A and B sites. The librational spectra using HD and D2 show isotopic shifts which are largely in agreement with this model.
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