PyVib2 gallery
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
Calculated spectra of 1-methylindane
Raman / ROA generation in methyloxirane
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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 :
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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 :
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