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, and Anthony J. Horsewill
Phys. Rev. Lett. 113, 123001 – Published 17 September 2014

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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  • Received 15 August 2014

DOI:https://doi.org/10.1103/PhysRevLett.113.123001

© 2014 American Physical Society

Authors & Affiliations

Minzhong Xu1, Mónica Jiménez-Ruiz2, Mark R. Johnson2, Stéphane Rols2, Shufeng Ye1, Marina Carravetta3, Mark S. Denning3, Xuegong Lei4, Zlatko Bačić1,5,*, and Anthony J. Horsewill6,†

  • 1Department of Chemistry, New York University, New York, New York 10003, USA
  • 2Institut Laue-Langevin, BP 156, 38042 Grenoble, France
  • 3School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom
  • 4Department of Chemistry, Columbia University, New York, New York 10027, USA
  • 5NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China
  • 6School of Physics & Astronomy, University of Nottingham, Nottingham NG7 2RD, United Kingdom

  • *zlatko.bacic@nyu.edu
  • a.horsewill@nottingham.ac.uk

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Issue

Vol. 113, Iss. 12 — 19 September 2014

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