Analytical derivation of interference dips in molecular absorption spectra: Molecular properties and relationships to fano's antiresonance

An analytical expression is derived for the decrease in the absorption cross section that occurs when two molecular electronic states are coupled by spin-orbit coupling. The loss of intensity, or interference dip, is common in the spectra of metal compounds. The derivation is based on a coupling of a single forbidden donor state to a broadened harmonic acceptor potential. and leads to simple analytical expressions. The new expressions give line shape functions different from those in the commonly used Fano antiresonance interpretation and are based on interpretable molecular properties.