The Vibrational Spectra Of Selected Bicyclic Compounds

A valence force field and the vibrational wavenumbers are determined for bicyclo[2.2.1]- heptane (I), bicyclo[2.2.1]hepta-2,5-diene (II), and 7-oxabicyclo[2.2.1]heptane (III) by ab initio calculations at the STO-3G level. The calculated wavenumbers are compared to ob-served infrared absorptions and Raman emissions. New and in some cases revised assignments are derived.