Vibrational spectra of fluoranil. (2, 3, 5, 6-Tetrafluoro-p-benzoquinone)

Abstract

Infra-red and Raman spectra of fluoranil are presented for the first time. A complete assignment of intramolecular fundamentals is achieved mainly on the basis of oriented crystal and vapour spectra in infra-red and of solutions in Raman spectroscopy. A simplified Valence Force Field is used to repodurce the in-plane and out-of-plane vibrational motions. Thermodynamic properties in the ideal gas state are calculated.