Chemical Physics Letters, Vol.383, No.3-4, 222-229, 2004
A quantitative analysis of the N 1s ->pi* photoabsorption profile in N-2: new spectroscopical constants for the core-excited state
The N 1s --> pi* photoabsorption profile of N-2 is quantitatively analysed. New spectroscopical constants for the N 1s(-1) pi* core-excited state are determined from NEXAFS spectra and compared to previously published data. The accuracy of the new spectroscopical constants is discussed and error bars are given for the present data analysis. The goodness of the new spectroscopical constants is demonstrated by lifetime vibrational interference (LVI) simulations of the resonant Auger decay from the N 1s(-1) pi* core-excited state to the A(2)Pi(u) singly ionized final state of N-2. These new values give a much better agreement with recently obtained experimental data compared to the previously published ones. (C) 2003 Elsevier B.V. All rights reserved.