THE VALIDITY OF SPECTRAL ASSIGNMENTS BASED ON MOLECULAR STATE ENERGY LEVEL DIAGRAMS

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1975

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Ohio State University

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Photoelectron spectra provide transition energies between the molecular ground state and various ion states. Vacuum ultraviolet absorption spectra provide transition energies between the molecular ground state and the different molecular excited states. In the past, the two types of spectra have been used together to construct molecular state energy level diagram1,2 However, there has been little done to justify this approach. A justification is presented that requires the evaluation of an ``interaction difference term”. This term is evaluated using atomic energy levels.3 Then a simple molecular system is presented and the interaction difference examined.

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1W. Fuss and H. Bock, J. Chem. Phys, 61, 1613 (1974). 2G. C. Causley and B. R. Russell, J. Chem. Phys. 62, 848 (1975). 3C. E. Moore, ``Atomic Energy Levels I, II."" This work was funded by the Robert A. Welch Foundation.""


Author Institution: Department of Chemistry, North Texas State University

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