Raman and/or infrared (IR) bandshape analysis to probe molecular dynamics in liquids has become a rapidly expanding field of study in recent years. Determination of spinning and tumbling diffusion constants, Dι and D⊥, which characterize the reorientation of symmetric-top moleclues has been successfully studied in a number of D6H and D3H molecules. For molecules of CV3 symmetry, however, previous attempts to extract spinning diffusion constants from Raman doubly degenerate vibrations (E mode) have proved unsuccessful. Presented here is a new methodology which resolves the problems encountered by former researchers through calculation of Dι utilizing the narrower Lorentzian component of E ...
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Raman and/or infrared (IR) bandshape analysis to probe molecular dynamics in liquids has become a rapidly expanding field of study in recent years. Determination of spinning and tumbling diffusion constants, Dι and D⊥, which characterize the reorientation of symmetric-top moleclues has been successfully studied in a number of D6H and D3H molecules. For molecules of CV3 symmetry, however, previous attempts to extract spinning diffusion constants from Raman doubly degenerate vibrations (E mode) have proved unsuccessful. Presented here is a new methodology which resolves the problems encountered by former researchers through calculation of Dι utilizing the narrower Lorentzian component of E vibrations.
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