Quantum Dynamics of Trapped within Organic Clathrate Cages
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).
- Authors:
-
- 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)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1486932
- Alternate Identifier(s):
- OSTI ID: 1429132
- Grant/Contract Number:
- AC05-00OR22725; SC0001057; AC0500OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 120; Journal Issue: 12; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Strobel, Timothy A., Ramirez-Cuesta, Anibal J., Daemen, Luke L., Bhadram, Venkata S., Jenkins, Timothy A., Brown, Craig M., and Cheng, Yongqiang. Quantum Dynamics of H2 Trapped within Organic Clathrate Cages. United States: N. p., 2018.
Web. doi:10.1103/PhysRevLett.120.120402.
Strobel, Timothy A., Ramirez-Cuesta, Anibal J., Daemen, Luke L., Bhadram, Venkata S., Jenkins, Timothy A., Brown, Craig M., & Cheng, Yongqiang. Quantum Dynamics of H2 Trapped within Organic Clathrate Cages. United States. https://doi.org/10.1103/PhysRevLett.120.120402
Strobel, Timothy A., Ramirez-Cuesta, Anibal J., Daemen, Luke L., Bhadram, Venkata S., Jenkins, Timothy A., Brown, Craig M., and Cheng, Yongqiang. Fri .
"Quantum Dynamics of H2 Trapped within Organic Clathrate Cages". United States. https://doi.org/10.1103/PhysRevLett.120.120402. https://www.osti.gov/servlets/purl/1486932.
@article{osti_1486932,
title = {Quantum Dynamics of H2 Trapped within Organic Clathrate Cages},
author = {Strobel, Timothy A. and Ramirez-Cuesta, Anibal J. and Daemen, Luke L. and Bhadram, Venkata S. and Jenkins, Timothy A. and Brown, Craig M. and Cheng, Yongqiang},
abstractNote = {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).},
doi = {10.1103/PhysRevLett.120.120402},
journal = {Physical Review Letters},
number = 12,
volume = 120,
place = {United States},
year = {Fri Mar 23 00:00:00 EDT 2018},
month = {Fri Mar 23 00:00:00 EDT 2018}
}
Web of Science
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Works referencing / citing this record:
Assignment of Terahertz Modes in Hydroquinone Clathrates
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