Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 4, Issue 24, Pages 5937-5943Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b208160a
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Vibrationally resolved C1s photoelectron spectra of benzene and d(6)-benzene have been recorded using monochromated synchrotron radiation at photon energies of 330 eV. The spectrum of normal benzene displays considerable vibrational structure. Particularly noteworthy is the strong excitation of a combined CCH-bending and CC-stretching mode which splits the main peak into two well-defined maxima. In d(6)-benzene, the vibrational energy levels are less well separated and the vibrational structure is reduced to strong asymmetry of the main peak and a broad tail extending toward higher ionization energy. The recorded spectra are analyzed using first-principle and curve-fitting procedures. A theoretical model that allows for incomplete localization of the core hole, results in very good fits to the experimental spectra of both benzene and d(6)-benzene.
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