Theoretical study of ClH2− electron detachment spectroscopy revisited

- We revisited the electron detachment spectroscopy of ClH2− and ClD2−.
- We improved the representation of the anionic wavefunction and the propagation algorithm.
- These improvements eliminated the rich vibronic structures extending to higher energies appeared in our previous study.

Electron detachment spectroscopy of ClH2− and ClD2− is revisited in this paper. Franck-Condon transition from the ground vibrational level of the electronic ground state of the anion to the coupled electronic manifold of the neutral species is investigated by a time-dependent wave packet (WP) approach. Rich vibronic structures due to Cl…H2 continuum states at higher energies appeared in the photodetachment band in our previous study [Chem. Phys. Lett. 394 (2004) 207] are eliminated on improving the representation of the anionic wavefunction and the WP propagation algorithm. The theoretical findings are compared with the available experimental and theoretical results.

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