AN EXPERIMENTAL AND THEORETICAL-STUDY OF THE SPECTROSCOPIC AND THERMODYNAMIC PROPERTIES OF TOLUENE

Three experimental techniques - photoabsorption, photoelectron and pho toion spectroscopy - have been combined with many-body Green's functio n calculations to investigate the spectroscopic and thermodynamic prop erties of toluene, The absolute photoabsorption cross section has been measured from the ionisation threshold to 350 Angstrom using a double ion chamber and monochromated synchrotron radiation. Some of the stru cture has been arranged into Rydberg series. He I excited photoelectro n spectra of toluene-h(8) and toluene-d(8) have been recorded and vibr ational progressions have been observed in three bands, Fragmentation processes have been studied by measuring time-of-flight spectra and ap pearance energies have been determined for many small :Fragments, and the doubly-charged parent ion. The many-body Green's function approach , specially adapted for the outer valence region, has been used to cal culate ionisation energies and pole strengths. (C) 1998 Elsevier Scien ce B.V.