AbstractA new interpretation algorithm for molecular negative ion resonance states is proposed. This algorithm may be used when there exists a set of resonance states where the energetic distance between the resonances coincides with the corresponding distance between ionization energies. This set arises by a mechanism of electron‐excited Feschbach resonance. In this mechanism, during the collision of electrons with a molecule, one electron from an occupied molecular orbital (MO) is promoted to an unoccupied MO and the striking electron is captured to the same MO. An assumed MO, excited in the set of resonances, is determined by quantum chemical calculations. This assumption is checked by the construction of correlation diagrams for electron states. The algorithm was applied to the monothiocarbonates and perfluoroalkenes and gave satisfactory results.
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