Dynamics of Methane Trapped in C(60) Interstices

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In order to understand the hindered rotational and vibrational dynamics of methane trapped in C{sub 60} interstices and to determine the structure around the interstitial site, they have carried out inelastic neutron scattering studies of the methane/C{sub 60} system. At temperatures of 20K and below, they observe inelastic peaks from rotational transitions of the CH{sub 4}. These transitions allow unambiguous assignment of the hindered rotational energy levels and a determination of the interaction potential. The appearance of two peaks for one of the J = 0{r_arrow}3 transitions implies the existence of two distinct kinds of interstitial sites and the measured ... continued below

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23 p.

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KING, HARRY F.; KWEI, GEORGE H.; MOROSIN, BRUNO & TROUW, FRANS September 1, 1999.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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Description

In order to understand the hindered rotational and vibrational dynamics of methane trapped in C{sub 60} interstices and to determine the structure around the interstitial site, they have carried out inelastic neutron scattering studies of the methane/C{sub 60} system. At temperatures of 20K and below, they observe inelastic peaks from rotational transitions of the CH{sub 4}. These transitions allow unambiguous assignment of the hindered rotational energy levels and a determination of the interaction potential. The appearance of two peaks for one of the J = 0{r_arrow}3 transitions implies the existence of two distinct kinds of interstitial sites and the measured transition energies suggest a rotational barrier of about 26 and 16 meV for these sites. Time-dependent changes in peak heights indicate slow t{sub 1/2} ({approx} 2.6 hrs) triplet{r_arrow}quintet nuclear spin conversion that necessarily accompanies the J = 1{r_arrow}0 rotational relaxation. They also have observed a sharp inelastic peak at 9.3 meV, which corresponds to a local vibrational mode of CH{sub 4} rattling in its cage at {approximately} 2.2 THz. Other peaks involving higher-energy vibrational excitations in CD{sub 4}/C{sub 60} correspond in energy to assigned peaks in the inelastic neutron scattering spectra of C{sub 60}, albeit sometimes with different intensities.

Physical Description

23 p.

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OSTI as DE00012669

Medium: P; Size: 23 pages

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  • Journal Name: Journal of Chemical Physics; Other Information: Submitted to Journal of Chemical Physics

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  • Report No.: SAND99-2300J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 12669
  • Archival Resource Key: ark:/67531/metadc618534

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • September 1, 1999

Added to The UNT Digital Library

  • June 16, 2015, 7:43 a.m.

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  • April 10, 2017, 3:45 p.m.

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KING, HARRY F.; KWEI, GEORGE H.; MOROSIN, BRUNO & TROUW, FRANS. Dynamics of Methane Trapped in C(60) Interstices, article, September 1, 1999; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc618534/: accessed December 11, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.