Here is the model used for rotational analysis of various methoxy bands
published in J. Chem. Phys. 106 (17), D. Powers, M. Pushlarsky, T. Miller
“Rovibronic analysis of the laser induced fluorescence excitation spectrum of
the jet-cooled methoxy radical” It’s a C3v symmetry symmetric
top with spin-orbit coupling, centrifugal distortion, Coriolis coupling and JT
correction terms of Endo’s Hamiltonian.
Before you use it you have to copy to Models directory (whatever it is on your computer, by default it is C:\Program Files\OSU\Program\SpecViewModels) and properly register it in specview.ini file located in your Windows system directory (C:\Windows is the default). The name of the model that has to be put into [Models] section is "Sym.Rotor&JT sK SEP". Paste and copy it so you would not waste time trying to figure out why the simulation file that you saved could not be open.
Note: I do not guarantee that the Jahn-Teller h* constants that you can find in the model are put there correctly. After all the model was tested (and it did work well) only for moderate resolution spectra. The source code is available for all who crave.
You are very welcome to leave comments or express feelings you experienced using SpecView. Your feedback is important for development of the best spectrum analysis tools.
Last revised on December 31, 1969, 7:00 pm