Abstract
Franck–Condon analysis and spectral simulations were carried out on the HCCl (X˜1A′)←HCCl-(X˜2A″) photo-detachment process. The theoretical spectra obtained by using CCSD/6-311+G(2p,d) values are in agreement with the observed one. Otherwise, the equilibrium geometry parameters, r(CCl)=1.950±0.002Å of the X˜2A″ state of HCCl− are derived, by using the spectral simulation and employing an iterative Franck–Condon (IF–C) analysis procedure. Furthermore, through the different methods, our best calculated electron affinity is 1.2106eV, which is in fair agreement with the experimental value.
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