DETERMINATION OF THE MOLECULAR-CONSTANTS OF INTERACTING BRIGHT AND DARK STATES - ANALYSIS OF THE HIGH-RESOLUTION INFRARED-SPECTRUM OF THE S-O STRETCHING FUNDAMENTAL OF THIONYLIMIDE, HNSO
Dl. Joo et Dj. Clouthier, DETERMINATION OF THE MOLECULAR-CONSTANTS OF INTERACTING BRIGHT AND DARK STATES - ANALYSIS OF THE HIGH-RESOLUTION INFRARED-SPECTRUM OF THE S-O STRETCHING FUNDAMENTAL OF THIONYLIMIDE, HNSO, The Journal of chemical physics, 104(22), 1996, pp. 8852-8856
The S-O stretching fundamental, nu(2), of thionylimide has been record
ed at high resolution and rotationally analyzed for the first lime. Th
is strong A-type hand with origin al 1257.5808 cm(-1) is extensively p
erturbed by the 5(1)6(1) state at 1206.58 cm(-1) through a- and b-axis
Coriolis interactions. Even though no nu(5)+nu(6) band transitions co
uld be Found. a complete analysis of the perturbed rotational structur
e has been achieved. Accurate molecular constants for the ''bright'' 2
(1) state and the ''dark'' 5(1)6(1) state have been obtained, using a
Hamiltonian that includes both types of Coriolis interactions. Further
small perturbations at high k(a) and J have been identified as higher
-order interactions with the nu(3) band at much lower energy. (C) 1996
American Institute of Physics.