Skip to Main content Skip to Navigation
Journal articles

Simulation of of the Ã2Σ+–X̃2Π absorption and emission spectra of the SiCCl radical

Abstract : The potential energy surface of the Ã2Σ+ state and the X̃2Π−Ã2Σ+ transition dipole moments of the SiCCl radical have been calculated ab initio using multireference configuration interaction approaches. The rovibrational states of the Ã2Σ+ state have been computed with the EVEREST code and, together with the previously calculated rovibronic states of the X̃2Π electronic ground state, have been used to produce absorption and emission spectra. The simulated emission spectra compare very well with the experimental laser-induced fluorescence spectra. The assignment of the rovibronic energies of the Renner–Teller X̃2Π electronic ground state has been completed.
Document type :
Journal articles
Complete list of metadatas

https://hal-upec-upem.archives-ouvertes.fr/hal-01178828
Contributor : Celine Leonard <>
Submitted on : Tuesday, July 21, 2015 - 9:18:18 AM
Last modification on : Friday, June 19, 2020 - 7:52:04 PM

Identifiers

Citation

Alexander Mitrushchenkov, V. Brites, Céline Léonard. Simulation of of the Ã2Σ+–X̃2Π absorption and emission spectra of the SiCCl radical. Molecular Physics, Taylor & Francis, 2015, 113 (13-14), pp.1695-1703. ⟨10.1080/00268976.2015.1005707⟩. ⟨hal-01178828⟩

Share

Metrics

Record views

472