Radiative transition probabilities and lifetimes for the band systems (1) 3Π–X3Σ− and (2) 3Σ−–X3Σ− of the isovalent molecules BeC, MgC, and CaC

Radiative transition probabilities and lifetimes for the band systems A²pi - X²sigma+ of the isovalent molecules BeF, MgF and CaF

“…At large distances the confi gurations change to properly describe a covalent structure at the dissociation limit M ( 1 S g ) + F ( 2 P u ). The equilibrium distances for the states X 2 Σ + and A 2 Π increase as the size of the metallic atom increases, similarly to the trend in the equilibrium distances for the fi rst two electronic states of the alkaline-earth monoborides BeB, MgB and CaB [17], and alkaline-earth monocarbides BeC, MgC and CaC [19]. For both states of all molecules, our R e results are slightly shorter than previous theoretical studies, thus improving the agreement with experiment.…”

“…However, for the CaF molecule, the radiative lifetime for ν = 0 of the A 2 Π → X 2 Σ + transitions was determined equal to 21.9 ± 4.0 ns directly from the rate of fluorescence decay using a pulsed dye laser as an excitation source [16]. Recently, we have also concluded similar studies for the diatomic molecules formed by the alkaline-earth atoms (Be, Mg and Ca) with the second period atoms (B, C and N) [17][18][19].…”

Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study

“…Finally, results for the ground state of MgC were published in the aforementioned work of Pelegrini et al [16], practically in agreement with the work of Bauschlicher et al [17].…”

Ab initio calculations on potential energy curves and radiative lifetimes for the band systems A2Π–X2Σ+ of magnesium monohalides MgX (X=F, Cl, Br, I)

“…Recently, there are similar studies for the diatomic molecules formed by the alkaline-earth atoms (Be, Mg and Ca) with the second period atoms (F, B, C, and N) [17][18][19][20][21][22]. To provide detail results for future spectral analysis of these molecules, the present study aims to provide a unique comparative study of the spectroscopic properties with the theoretical approach for these magnesium monohalides.…”