Fig. 3: Inelastic neutron scattering spectra of deuterium-loaded γ-Mg(BD4)2.
From: Small-pore hydridic frameworks store densely packed hydrogen
a, INS spectra of Mg(BD4)2 loaded with 4 mmol of p-H2 (black). The vibrational DoS (purple upper area) is convoluted with the rotor transitions that are shown as red and blue hashed areas (peaks f and g) (Supplementary Section 5 presents the full peak assignment). The resulting convolution is shown as the greyed-out areas in trace I to obtain the overtones and combinations. The sum of the overtones is shown in trace II. Trace III includes the contribution of the concurrent excitation of J0→1 on two neighbouring hydrogen molecules. b, Scheme of SQRE. A single neutron interacts simultaneously with two neighbouring H2 molecules. The resulting neutron transfers the energy required for two rotational transitions \({2{\omega }_{{J}_{0\to 1}}}\) (27.8 meV). Only the SQRE of the rotational transition at 13.9 meV shows in the spectrum. All INS spectra presented in this Article were measured at 5 K.
