Extended PPP model: 21A and 13B states of polydiacetylene fragments

Z. G. Soos, Sumitendra Mazumdar, S. Kuwajima

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Abstract

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 languageEnglish (US)
Pages (from-to)538-541
Number of pages4
JournalPhysica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics
Volume143
Issue number1-3
DOIs
StatePublished - 1986
Externally publishedYes

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Cite this

Extended PPP model : 21A and 13B states of polydiacetylene fragments. / Soos, Z. G.; Mazumdar, Sumitendra; Kuwajima, S.

In: Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics, Vol. 143, No. 1-3, 1986, p. 538-541.

Research output: Contribution to journalArticle

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