Quantum Dynamics of H2 Trapped within Organic Clathrate Cages

Timothy A. Strobel, Anibal J. Ramirez-Cuesta, Luke L. Daemen, Venkata S. Bhadram, Timothy A. Jenkins, Craig M. Brown, and Yongqiang Cheng
Phys. Rev. Lett. 120, 120402 – Published 23 March 2018
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Abstract

The rotational and translational dynamics of molecular hydrogen trapped within β-hydroquinone clathrate (H2@β-HQ)—a practical example of a quantum particle trapped within an anisotropic confining potential—were investigated using inelastic neutron scattering and Raman spectroscopy. High-resolution vibrational spectra, including those collected from the VISION spectrometer at Oak Ridge National Laboratory, indicate relatively strong attractive interaction between guest and host with a strikingly large splitting of rotational energy levels compared with similar guest-host systems. Unlike related molecular systems in which confined H2 exhibits nearly free rotation, the behavior of H2@β-HQ is explained using a two-dimensional (2D) hindered rotor model with barrier height more than 2 times the rotational constant (16.2  meV).

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  • Received 6 October 2017

DOI:https://doi.org/10.1103/PhysRevLett.120.120402

© 2018 American Physical Society

Physics Subject Headings (PhySH)

General PhysicsCondensed Matter, Materials & Applied PhysicsAtomic, Molecular & Optical

Authors & Affiliations

Timothy A. Strobel1,*, Anibal J. Ramirez-Cuesta2, Luke L. Daemen2, Venkata S. Bhadram1, Timothy A. Jenkins3,†, Craig M. Brown3, and Yongqiang Cheng2

  • 1Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015, USA
  • 2Neutron Scattering Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 3Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA

  • *Corresponding author. tstrobel@carnegiescience.edu
  • Present address RDRL-WML-B, U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005, USA.

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Issue

Vol. 120, Iss. 12 — 23 March 2018

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