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Université de Fribourg

1,4-Dimethylenespiropentane: a unique model system for studying fermi resonance in raman optical activity

Hug, Werner ; Haesler, Jacques ; Kozhushkov, Sergei I. ; Meijere, Armin de

In: ChemPhysChem, 2007, vol. 8, no. 8, p. 1161 - 1169

The C₂-symmetric title compound, a small, rigid hydrocarbon molecule with two distinct, strongly interacting vibrational chromophores, represents a unique model system for testing computational approaches to Raman optical activity (ROA) beyond the isolated molecule and the harmonic approximation. We show that the experimental Raman and ROA spectra are marked by the presence of strong Fermi...