Confirming a predicted selection rule in inelastic neutron scattering spectroscopy: the quantum translator-rotator H2 entrapped inside C60

Xu, Minzhong; Jim�nez-Ruiz, M�nica; Johnson, Mark R.; Rols, St�phane; Ye, Shufeng; Carravetta, Marina; Denning, Mark S.; Lei, Xuegong; Ba?i?, Zlatko; Horsewill, Anthony J.

Abstract

We report an inelastic neutron scattering (INS) study of H2 molecule encapsulated inside the fullerene C60 which confirms the recently predicted selection rule, the first to be established for the INS spectroscopy of aperiodic, discrete molecular compounds. Several transitions from the ground state of para-H2 to certain excited translation-rotation states, forbidden according to the selection
rule, are systematically absent from the INS spectra, thus validating the selection rule with a high degree of confidence. Its confirmation sets a precedent, as it runs counter to the widely held view that the INS spectroscopy of molecular compounds is not subject to any selection rules.

Citation

Xu, M., Jiménez-Ruiz, M., Johnson, M. R., Rols, S., Ye, S., Carravetta, M., …Horsewill, A. J. (2014). Confirming a predicted selection rule in inelastic neutron scattering spectroscopy: the quantum translator-rotator H2 entrapped inside C60. Physical Review Letters, 113(123001), https://doi.org/10.1103/PhysRevLett.113.123001

• Journal Article Type: Article
• Publication Date: Jan 1, 2014
• Deposit Date: Jan 28, 2015
• Publicly Available Date: Jan 28, 2015
• Journal: Physical Review Letters
• Print ISSN: 0031-9007
• Electronic ISSN: 0031-9007
• Publisher: American Physical Society
• Peer Reviewed: Peer Reviewed
• Volume: 113
• Issue: 123001
• DOI: https://doi.org/10.1103/PhysRevLett.113.123001
• Public URL: https://nottingham-repository.worktribe.com/output/1000272
• Publisher URL: http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.123001
• Additional Information: Copyright APS.