Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
111 (1999), S. 7782-7788
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
We report quantum mechanical calculations of the X˜←C˜ emission spectra of SO2 at the red wing of the C˜ absorption band. The near equilibrium potential energy surface of the C˜ 1B2 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˜←C˜ transitions are obtained up to 16 000 cm−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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.480113
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