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

Abstract

Photoionization cross-sections and asymmetry parameters for the outermost orbital of ethanol has 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 the MQDO data will be useful in combustion chemistry and astrophysics.