Theoretical Development
Perhaps the earliest examples of the importance of vibronic coupling were found during the 1930s. In 1934 Renner wrote about the vibronic coupling in an electronically excited Π-state in CO2. Calculations of the lower excited levels of benzene by Sklar in 1937 (with the valence bond method) and later in 1938 by Goeppert-Mayer and Sklar (with the molecular orbital method) demonstrated a correspondence between the theoretical predictions and experimental results of the benzene spectrum. The benzene spectrum was the first qualitative computation of the efficiencies of various vibrations at inducing intensity absorption.
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