Quantum Dynamics of H2 Trapped within Organic Clathrate Cages

Strobel, Timothy A.; Ramirez-Cuesta, Anibal J.; Daemen, Luke L.; Bhadram, Venkata S.; Jenkins, Timothy A.; Brown, Craig M.; Cheng, Yongqiang

doi:10.1103/PhysRevLett.120.120402

Title: Quantum Dynamics of $H_{2}$ Trapped within Organic Clathrate Cages

Journal Article · Fri Mar 23 00:00:00 EDT 2018 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.120.120402· OSTI ID:1486932

Strobel, Timothy A. ^[1]; Ramirez-Cuesta, Anibal J. ^[2]; Daemen, Luke L. ^[2]; Bhadram, Venkata S. ^[1]; Jenkins, Timothy A. ^[3]; Brown, Craig M. ^[3]; Cheng, Yongqiang ^[2]

Carnegie Inst. of Washington, Washington, DC (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)

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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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; SC0001057; AC0500OR22725

OSTI ID:: 1486932

Alternate ID(s):: OSTI ID: 1429132

Journal Information:: Physical Review Letters, Vol. 120, Issue 12; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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