GLOBAL DEPERTURBATION ANALYSIS FROM ENERGETIC, MAGNETIC, AND RADIATIVE MEASUREMENTS - APPLICATION TO TE(2)

Citation
Ea. Pazyuk et al., GLOBAL DEPERTURBATION ANALYSIS FROM ENERGETIC, MAGNETIC, AND RADIATIVE MEASUREMENTS - APPLICATION TO TE(2), The Journal of chemical physics, 99(10), 1993, pp. 7873-7887
Citations number
56
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
99
Issue
10
Year of publication
1993
Pages
7873 - 7887
Database
ISI
SICI code
0021-9606(1993)99:10<7873:GDAFEM>2.0.ZU;2-Q
Abstract
In the framework of a unified physical model, employed as a basis Hund 's case ''c,'' a quantitative description has been worked out for expe rimental data of term values, g factors, and lifetimes of excited B0u and A1u states, as well as for relative intensities in B0u+-X0g+, A1u -X1g, and B0u+-X1g transitions. The model includes a minimum number of adjustable fitting parameters: deperturbed molecular constants for bo th states, intramolecular interaction matrix element (eta), two electr onic matrix elements of magnetic interactions (G(z),G+/-), as well as two parallel (R(e parallel-to)B0u+-X0g+, R(e parallel-to)A1u-X1g) and two perpendicular (R(e perpendicular-to)B0u+-X1g, R(e perpendicular-to )A1u-X0g+) electronic transition moments. The B0u+ state g factors and the intensity distribution over P, R, Q branches in B0u+-X1g transiti on was found to be most sensitive to weak heterogeneous (DELTAOMEGA = +/- 1) perturbations, and a simple analytic connection between those c haracteristics has been proposed. The OMEGA-doubling constant- for A1u state levels was evaluated. By transforming the responsible electroni c matrix elements to Hund's case ''a'' basis, the A1u state has been f ound to be basically a 3SIGMA1 component of the B 3SIGMA(u)- state, wi th a small admixture (< 14%) of a 3PI1 component of the A 3PI(u) state , and a change in term notation from A1u to B1u is proposed.