The (0,0) band of the B2Σ+-X2Σ+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. For90ZrN, perturbations are found at J = 23.5 of the F1component and J = 17.5 and 43.5 of the F2component. The perturbation of the F2component at J = 23.5 shifts to J = 18.5 for94ZrN. 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 B2Σ+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.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry