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Experimental spectra of disparlure

Raman and SCP ROA backward scattering spectra of disparlure, sex pheromone of the gypsy moth Lymantria dispar (Linnaeus).
For details, refer to the original work of W. Hug [ doi:10.1366/000370203321165142 ]
The spectra are plotted with PyVib2 1.1

Calculated spectra of methyloxirane

  • Raman / ROA / Degree of circularity spectra in the curve representation

  • Raman / ROA / Degree of circularity spectra in the stick representation

  • IR / VCD / g spectra in the curve representation

  • IR / VCD / g spectra in the stick representation

Calculated spectra of 1-methylindane

Raman / ROA generation in methyloxirane

  • Group Coupling Matrix (GCM) for vibration 17

    The groups consist of the hydrogens, attached to the : tertiary carbon (g1), secondary carbon (g2), primary carbon (g3).

    Raman (left) and ROA backward (right) scattering invariants combination. The multiply factor for the radii of the circles of Raman is five times smaller than one of ROA :

  • Atomic Contribution Pattern (ACP) for vibration 17

    The multiply factor for the radii of the spheres of Raman (left) is five times smaller than one of ROA (right) :

Vibrational motion of methyloxirane

Vibration 17 (geometry and force field calculated at the B97-1 / pc-2 level of theory) is shown below :

  • Animated GIF

  • Vibrational energy distribution representation

  • Arrows representation


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