화학공학소재연구정보센터
Journal of Chemical Physics, Vol.114, No.18, 7969-7975, 2001
Predicted predissociation linewidths in the Schumann-Runge bands of O-2 compared with recent high resolution measurements
We derive and use new parameters to quantify the semiempirical expressions of Julienne and Krauss [J. Mol. Spectrosc. 56, 270 (1975)] for the (5)Pi (u), (3)Sigma (+)(u), (3)Pi (u), and (1)Pi (u) potentials that predissociate the rovibrational levels of the B (3)Sigma (-)(u) state of O-2. Using the new parameters in the model of Julienne and Krauss we evaluate fine-structure predissociation linewidths for the Schumann-Runge bands that terminate on the v=13,14 rovibrational levels of the B (3)Sigma (-)(u) state. We compare these linewidths and those calculated with several existing sets of parameters with the measurements of Dooley [J. Chem. Phys. 109, 3856 (1998)]. We also show the deperturbing effect of the level shifts, calculated with the new parameters, on the energies of the rotationless v=0-17 vibrational levels of the B (3)Sigma (-)(u) state.