This title appears in the Scientific Report :
2005
Please use the identifier:
http://hdl.handle.net/2128/1133 in citations.
Please use the identifier: http://dx.doi.org/10.1063/1.1829037 in citations.
Rotational dynamics of methyl groups in m-xylene
Rotational dynamics of methyl groups in m-xylene
Methyl group dynamics of m-xylene was investigated by using incoherent inelastic and quasi-elastic neutron scattering. Inelastic measurements were carried out at the high flux backscattering spectrometer HFBS at the National Institute of Standards, quasi-elastic measurements at the time-of-flight sp...
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Personal Name(s): | Kirstein, O. |
---|---|
Prager, M. / Dimeo, R. M. / Desmedt, A. | |
Contributing Institute: |
Neutronenstreuung; IFF-INS |
Published in: | The @journal of chemical physics, 122 (2005) S. 014502 |
Imprint: |
Melville, NY
American Institute of Physics
2005
|
Physical Description: |
014502 |
PubMed ID: |
15638669 |
DOI: |
10.1063/1.1829037 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Journal of Chemical Physics
122 |
Subject (ZB): | |
Link: |
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Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1063/1.1829037 in citations.
Methyl group dynamics of m-xylene was investigated by using incoherent inelastic and quasi-elastic neutron scattering. Inelastic measurements were carried out at the high flux backscattering spectrometer HFBS at the National Institute of Standards, quasi-elastic measurements at the time-of-flight spectrometer NEAT at the Hahn-Meitner-Institute. Rotational potentials are derived which describe the tunnel splittings, first librational, and activation energies of the two inequivalent CH(3) groups. Indications for coupling of the methyl rotation to low-energy phonons have been found. The finite width of one tunneling transition at He temperature is described by direct methyl-methyl coupling. The combined results of the experiments and the calculations allow a unique assignment of rotor excitations to crystallographic sites. |