Journal of Physical Chemistry B, Vol.115, No.18, 5103-5112, 2011
Multimode Resonant Auger Scattering from the Ethene Molecule
Resonant Auger spectra of ethene molecule have been measured with vibrational resolution at several excitation energies in the region of the C1s(-1)1b(2g)(pi*) resonance. The main features observed in the experiment have been assigned and are accurately interpreted on the basis of ab initio multimode calculations. Theory explains the extended vibrational distribution of the resonant Auger spectra and its evolution as a function of the excitation energy by multimode excitation during the scattering process. As a result, the resonant Auger spectra display two qualitatively different spectral features following the Raman and non-Raman dispersion laws, respectively. Calculations show that two observed thresholds of formation of non-Raman spectral bands are related to the "double-edge" structure of the X-ray absorption spectrum.