Correlation function modeling via the third-order memory function: Application to ethane
- 15 October 1979
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (8) , 3263-3266
- https://doi.org/10.1063/1.438755
Abstract
In order to understand the vibrational correlation function of the ν3 band of liquid C2H6, it has been necessary to include third‐order memory functions in the modeling procedure. The analysis indicates that the vibrational dephasing process may be a complex one involving both the spinning motion around the threefold symmetry axis and the tumbling motion of the axis itself. Information about the molecular dynamics in the temperature range 93–168 K has been obtained out to 7 ps.Keywords
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