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Analysis of [nu]2, [nu]4 Infrared Hot Bands of 32S16O3: Resolution of the Puzzle of the V1 CARS Spectrum



J Barber, E T. Chrysostom, Tony Masiello, J Nibler, A G. Maki, A Weber, Thomas A. Blake, R L. Sams


Further analysis of the high-resolution (0.0015 CM-1) infrared spectrum of 32S1603 has led to the assignment of more than 3100 hot band transitions from Ņ2 and Ņ4 levels to the states 2Ņ2 (1=0), {nu]2 + Ņ4 (l= 1), and 2Ņ4 (l=0, 2). These levels are strongly coupled via Fermi resonance and indirect Coriolis interactions to the Ņ1 levels which are IR-inaccessible from the ground state. The unraveling of these interactions has allowed for the solution of the unusual and complicated structure of the Ņ1 CARS spectrum. This has been accomplished by locating over 400 hot-band transitions to levels that contain at least 10% Ņ1 character. The complex CARS spectrum results from a large number of energy level crossings between these states. Accurate rovibrational constants are deduced for all the mixed states for the first time, leading to deperturbed values of 1064.924 (11), 0,000 840 93(64), and 0.000 418 19 (58) CM -1 for Ņ-1, α1β, and α1,uc^ respectively. The uncertainties in the last digits are shown in parentheses and represent two standard deviations. In addition, new values for some of the anharmonicity constants have been obtained. Highly accurate values for the equilibrium rotational constants Be and Ce are deduced, yielding independent, nearly identical values for the SO re bond length of 141.734.03(13)and 141.732 54(18) pm, respectively.
Journal of Molecular Spectroscopy
No. 1


cars, high resolution, infrared, raman, sulfur troxide


Barber, J. , Chrysostom, E. , Masiello, T. , Nibler, J. , Maki, A. , Weber, A. , Blake, T. and Sams, R. (2002), Analysis of [nu]<sub>2</sub>, [nu]<sub>4</sub> Infrared Hot Bands of <sup>32</sup>S<sup>16</sup>O<sub>3</sub>: Resolution of the Puzzle of the V<sub>1</sub> CARS Spectrum, Journal of Molecular Spectroscopy (Accessed February 28, 2024)
Created November 1, 2002, Updated February 17, 2017