Photoionization cross sections and asymmetry parameters for ethanol. A theoretical study

Photoionization cross-sections and asymmetry parameters for the outermost orbital of ethanol have been determined with the Molecular Quantum Defect Orbital (MQDO) method. The individual ionization cross-sections corresponding to the Rydberg series that constitute the ionization channels for the production of the molecular cation in its ground state are reported. Good agreement has been found with the experiment for the photoionization cross-sections. To our knowledge, predictions of the asymmetry parameter for the ethanol are made here for the first time. It is hoped that the MQDO data will be useful in combustion chemistry and astrophysics. - Highlights: • Photoionization properties of ethanol are calculated with the MQDO method. • Cross section profile for the production of C₂H₅OH⁺ in its ground state is shown. • Individual ionization cross sections corresponding to Rydberg series are reported. • Angular distribution of photoelectrons for the outermost orbital are calculated. • The method is suitable to predict spectroscopic properties in the continuum region.