Quantum calculations of highly excited vibrational spectrum of sulfur dioxide. III. Emission spectra from the C1B2 state

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Dept. Chem. Albuquerque High P., University of New Mexico, Albuquerque, NM 87131, United States ^{[1
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J Chem Phys | / 17卷 / 7782-7788期

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We report quantum mechanical calculations of the X2 at the red wing of the C absorption band. The near equilibrium potential energy surface of the C1B2 state is deduced by fitting experimental vibrational frequencies using an exact quantum mechanical Hamiltonian. Low-lying vibrational eigenenergies on this double minimum potential agree well with experimental frequencies and the corresponding eigenstates show some interesting features. Both spectral positions and intensities of the X-1 using a Chebyshev based spectral method, which does not explicitly construct vibrational eigenfunctions in the X state. The emission spectra are in reasonably good agreement with experimental measurements. © 1999 American Institute of Physics.

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