Coulomb correlations between an extended π subsystem and localized π′ dimers are found for the 21A and 13B states of polydiacetylene (PDA) fragments. In contrast to the red shift and splitting found previously for dipole-allowed 1B excitations, π-π′ coupling blue shifts 21A and 13B but hardly affects the 13B fine structure constants. Pseudocovalent contributions to correlated states rationalize these results.
|Original language||English (US)|
|Number of pages||4|
|Journal||Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics|
|Publication status||Published - 1986|
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