Laser spectroscopy of the B2Σ+-X2Σ+ (0,0) band of ZrN

Abstract

The (0,0) band of the B 2Σ +-X 2Σ + transition of ZrN between 404.1 and 407.1 nm was recorded and rotationally analyzed using laser induced fluorescence (LIF) spectroscopy. Small local rotational perturbations have been found for both spin components. For 90ZrN, perturbations are found at J = 23.5 of the F 1 component and J = 17.5 and 43.5 of the F 2 component. The perturbation of the F 2 component at J = 23.5 shifts to J = 18.5 for 94ZrN. Our analysis indicates that these perturbations are caused by more than one electronic state. A least-squares fit of the unperturbed line positions yielded approximated molecular constants for the v = 0 level of the B 2Σ + state of three isotopic molecules. Ab initio calculations have been performed to obtain spectroscopic properties of the ground and low-lying doublet and quartet states. The agreement between calculated and observed spectroscopic properties of the low-lying doublet states is good. © 2003 Elsevier Science (USA). All rights reserved.