Genetic Algorithm for quick finding of diatomic molecule potential parameters

Application of Genetic Algorithm (GA) for determination of parameters of an analytical representation of diatomic molecule potential is presented. GA can be used for finding potential characteristics of an electronic energy state which can be described by analytical function. GA was tested on two artificially generated datasets which base on potentials with known characteristics and two LIF excitation spectra recorded using transitions in CdKr and CdAr molecules. Tests on generated datasets showed that GA can properly reproduce parameters of the potentials. Tests on experimental spectra indicated that changing the potential model from Morse, which is frequently used as a starting potential in IPA, to expanded Morse oscillator (EMO) leads to noticeable improvement of agreement between simulated and experimental data

VUV photon induced fluorescence study of SF5CF3

The interaction of SF$_5$CF$_3$ with vacuum-UV radiation has been investigated by photon induced fluorescence spectroscopy. Total fluorescence yield and dispersed fluorescence spectra of SF$_5$CF$_3$ were recorded in the 200-1000 nm fluorescence window. In all cases, the fluorescence spectra resemble those of CF$_3$X (X=H, F, Cl, and Br) molecules. At photon energies below 20 eV, the emission is attributed to the excited CF$_3$ and CF$_2$ fragments. The threshold for the CF$_3$ emission is 10.2 ± 0.2 eV, giving an upper-limit estimate for the SF$_5$-CF$_3$ bond dissociation energy of 3.9 ± 0.3 eV. The excitation functions of the CF3 and CF2 emissions were measured in the photon energy range 13.6 – 27.0 eV. The resonant structures observed in SF$_5$CF$_3$ are attributed to electronic transitions from valence to Rydberg orbitals, following similar assignments in CF$_3$X molecules. The photoabsorption spectrum of SF$_5$CF$_3$ shows features at the same energies, indicating a strong contribution from Rydberg excitations