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. Author manuscript; available in PMC: 2013 Oct 28.
Published in final edited form as: Phys Chem Chem Phys. 2012 Aug 17;14(40):13861–13871. doi: 10.1039/c2cp41436h

Table 1. Huang-Rhys factors for selected odorant vibrations.

Listed are vibrational frequencies and the corresponding Huang-Rhys factors for selected odorant vibrations labeled in Fig. 4, calculated for acetophenone, citronellyl nitrile and octanol.

Odorant Peak label Frequency (cm−1) Huang-Rhys factor (σ)

Acetophenone 1 218 0.187
2 1275 0.031
3 1747 0.048
4 3188 0.002

Citronellyl nitrile 1 1241 0.055
2 2347 0.008
3 3013 0.012

Octanol 1 255 0.007
2 1050 0.026
3 3015 0.010