High-Resolution Spectroscopy of the A4Πr → X4Σ- Band System of MoN

Abstract

The emission spectrum of MoN between 13 200 and 18 400 cm-1 has been recorded by means of a microwave discharge and a Fourier Transform spectrophotometer (FTS). The transition A4Πr → X4Σ- has been rotationally analysed. Spin-orbit coupling constants have been determined for the A4Πr state. A number of states were studied by the multiconfiguration self consistent field (MCSCF) method with linear response (LR) technique and with account of spin-orbit coupling (SOC) as a perturbation. Besides that the multireference configuration interaction (MRCI) + SOC matrix has been diagonalized. Deviation from an equidistant splitting of the A4Πr state and the large spin-sublevel splitting of the ground state have been qualitatively explained as due to second-order SOC.