Photo from archive.org
Abstract The diatomic dications SrF2+ and SrCl2+ were investigated for the first time at a high level of theoretical approach, SA-CASSCF/MRCI. The overall energetic profile of all Λ + S states correlating… Click to show full abstract
Abstract The diatomic dications SrF2+ and SrCl2+ were investigated for the first time at a high level of theoretical approach, SA-CASSCF/MRCI. The overall energetic profile of all Λ + S states correlating with the three lowest dissociation channels, and the associated Ω states provide reliable results to characterize the lowest-lying states as thermodynamic stable. Einstein spontaneous emission coefficients evaluated for perpendicular A(1/2)–X1(3/2) transitions, and parallel and perpendicular A(1/2)–X2 (1/2) ones, and the spectroscopic parameters are expected to guide the spectroscopist in the challenging task of probing them experimentally. Similarities and differences with the CaF2+ and CaCl2+ results are discussed.
Journal Title: Chemical Physics Letters
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!