Abstract
The normal mode frequencies and corresponding vibrational assignments of the perfluorocyclopropenyl cation in D 3 h symmetry are examined theoretically using the Gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one of three types of motion (C–C stretch, C–F stretch, and C–F bend) predicted by a group theoretical 1analysis. By comparing the vibrational frequencies with IR and Raman spectra available in the literature, a set of scaling factors is derived. Molecular orbitals and bonding are examined.
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