Confirming a Predicted Selection Rule in Inelastic Neutron Scattering Spectroscopy: The Quantum Translator-Rotator H2 Entrapped Inside C60

Minzhong Xu; Mónica Jiménez-Ruiz; Mark R. Johnson; Stéphane Rols; Shufeng Ye; Marina Carravetta; Mark S. Denning; Xuegong Lei; Zlatko Bačić; Anthony J. Horsewill

doi:10.1103/PhysRevLett.113.123001

Confirming a Predicted Selection Rule in Inelastic Neutron Scattering Spectroscopy: The Quantum Translator-Rotator H2 Entrapped Inside C60

Minzhong Xu, Mónica Jiménez-Ruiz, Mark R. Johnson, Stéphane Rols, Shufeng Ye, Marina Carravetta, Mark S. Denning, Xuegong Lei, Zlatko Bačić, Anthony J. Horsewill

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

We report an inelastic neutron scattering (INS) study of a 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.

Original language	English (US)
Article number	123001
Journal	Physical Review Letters
Volume	113
Issue number	12
DOIs	https://doi.org/10.1103/PhysRevLett.113.123001
State	Published - Sep 17 2014

ASJC Scopus subject areas

General Physics and Astronomy

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Xu, M., Jiménez-Ruiz, M., Johnson, M. R., Rols, S., Ye, S., Carravetta, M., Denning, M. S., Lei, X., Bačić, Z., & 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(12), Article 123001. https://doi.org/10.1103/PhysRevLett.113.123001

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abstract = "We report an inelastic neutron scattering (INS) study of a 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.",

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AU - Jiménez-Ruiz, Mónica

AU - Johnson, Mark R.

AU - Rols, Stéphane

AU - Ye, Shufeng

AU - Carravetta, Marina

AU - Denning, Mark S.

AU - Lei, Xuegong

AU - Bačić, Zlatko

AU - Horsewill, Anthony J.

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Confirming a Predicted Selection Rule in Inelastic Neutron Scattering Spectroscopy: The Quantum Translator-Rotator H2 Entrapped Inside C60

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