Theoretical study of the femtosecond-resolved photoelectron spectrum of the anion

The time-resolved photoelectron spectra (TRPES) of the I 2 − anion have been calculated in this paper by using time-dependent wavepacket method. The simulated spectra accord well with the experimental ones [Martin T. Zanni, Travis R. Taylor, B. Jefferys Greenblatt, Benoit soep, Daniel M. Neumark, J. Chem. Phys. 107 (1997) 7613]. It has been found that the populations of I∗(2P1/2) and I(2P3/2) states depend mainly on the pump–probe delaytime and the dissociation of I 2 − anion mostly occurs within 320 fs time scale.