Chemical Physics Letters, Vol.664, 233-236, 2016
Site-specific recoil-induced effects on inner-shell photoionization of linear triatomic molecules: N 1s photoelectron spectra of N2O
We investigate hard X-ray ionization of linear triatomic molecules accenting recoil-induced effects on the dynamics of molecular frame. This dynamics is studied within the two-springs and harmonic approximations. The mode-channel relationship connecting the excitations of vibrational, rotational and translational degrees of freedom with the Sigma -> Sigma and Sigma -> Pi photoionization channels is applied to compute the N 1s(-1) photoelectron spectra of molecular N2O for various photon energies. The distinct ionizedsite- and molecular-orientation-specific changes in the vibration structure of the 1s photoelectron lines of terminal and central nitrogen atoms are revealed and discussed. (C) 2016 Elsevier B.V. All rights reserved.
Keywords:HAXPES;Photoelectron-induced recoil;Small molecules;Inner-shell photoionization dynamics;N2O