Molecular Vibrations of Quinones. VI. A Vibrational Assignment for p-Benzoquinone and Six Isotopic Derivatives. Thermodynamic Functions of p-Benzoquinone
- 1 February 1965
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (3) , 942-949
- https://doi.org/10.1063/1.1696085
Abstract
A complete assignment of the vibrational fundamentals of p‐benzoquinone, Qu‐d4, Qu‐d1, Qu‐2,5‐d2, Qu‐2,6‐d2, Qu‐18O2, and Qu‐d4‐18O2 is presented and discussed in detail. By using new infrared and Raman data, as well as a normal coordinate analysis, all for a number of isotopic derivatives, we have been able to substantiate some assignments previously made more speculatively for ordinary quinone itself (Anno and Sado, Davies and Prichard) and to modify other aspects of these previous assignments. Many independent product rule checks have been obtained and are generally quite satisfactory. The thermodynamic functions, CP°, S°, (H°–H0°)/T, and (F°–H0°)/T, are tabulated at various temperatures for Qu and Qu‐d4.Keywords
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