The ground state fundamentals of p-benzoquinone and p-benzoquinone-d4

Abstract

The solid state infrared and Raman spectra of p-benzoquinone and several isotopic derivatives are reported and compared with the results of previous solution and vapor phase studies and with the results of previously published normal coordinate analyses. The vibrational assignments are discussed in terms of the vibronic activity observed in the phosphorescence spectra of the individual isotopically related quinones in several host lattices at 2[deg]K. The infrared and Raman inactive fundamentals of p-benzoquinone-h4 obtained from vibronic analyses of the vapor phase resonance fluorescence are reported. The six Raman active lattice modes of p-benzoquinone-h4 and -d4 are assigned with the aid of isotope shifts and thermal-anisotropic-motion amplitudes from previously published X-ray diffraction data.