Fourier-transform spectroscopy and deperturbation analysis of the spin-orbit coupled A1Σ+ and b3Π states of KRbстатья
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Аннотация:Fourier-transform A1Σ+ − b3Π → X1Σ+ laser-induced uorescence spectra were recorded for the natural mixture of 39,41K85,87Rb isotopologues produced in a heatpipe oven. Overall 4200 rovibronic term values of the spin-orbit coupled A1Σ+ and b3Π states were determined with an uncertainty of about 0.01 cm−1 in the energy range [10850,14200] cm−1 covering rotational quantum numbers J′ ∈ [3,280]. Direct deperturbation analysis of the A ∼ b complex performed within the framework of the A1Σ+ ∼ b3ΠΩ=0,1,2 coupled-channel approach reproduced experimental data with a standard deviation of 0.004 cm−1. Initial parameters of the internuclear potentials and spin-orbit coupling functions along with the relevant transition dipole moments were obtained by performing the quasi-relativistic electronic structure calculations. The mass-invariant molecular parameters obtained from the t were used to predict energy and radiative properties of the A ∼ b complex for low J levels of 39K85Rb as well as for 41K87Rb isotopologues, allowing us to identify the most reasonable candidates for the stimulated Raman transitions between the initial uppermost vibrational levels of the a3Σ+ and X1Σ+ states, the intermediate levels of the A ∼ b complex, and the lowest absolute ground X 1Σ+(v = 0, J = 0) state.