Dynamics of Methane Trapped in C(60) Interstices
- Sandia National Laboratories
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.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 12669
- Report Number(s):
- SAND99-2300J
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics
- Country of Publication:
- United States
- Language:
- English
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