The calculations on the Ã2A′ and X̃2A″ states of HPCl were discussed. The highly consistent and reliable computed equilibrium geometrical parameters, potential energy functions (PEF), were obtained. Based on computed FC factors, simulated SVL emission spectra of HPCl and DPCl and chemiluminescence spectrum of HPCl were obtained. The iterative Franck-Condon analysis (IFCA) procedure, based on comparison between simulated and observed SVL emission spectra, was used to obtain equilibrium geometrical parameters for the Ã2A′ state of HPCl.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry