The Vibrational Inelastic Neutron Scattering Spectrum of Dodecahedrane: Experiment and DFT Simulation.
Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)-symmetrical molecule dodecahedrane (shown schematically), the resulting spectrum agrees with a DFT calculation.
Hudson
BS
Department of Chemistry, University of Oregon Eugene, OR 97403 (USA).
Braden
DA
Parker
SF
Prinzbach
H