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Electronic excitations to higher two-photon states of conjugated polymers

✍ Scribed by Yoichi Matsuzaki; Kazuyoshi Tanaka; Tokio Yamabe

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 407 KB
Volume: 211
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)87063-9

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✦ Synopsis

Configuration interaction calculations of the excited states of polyenes C H N N+2(N=4r 6,8, 10 and 12) and (Si), (m=3-7) segments have been performed within the framework of the Pariser-Parr-Pople approximation. Characteristics of the higher twophoton state, n 'Ap in these oligomers are discussed based on descriptions with the aid of the localized orbitals. In the case of the polyene, n '4 is characterized by an admlxture of the CT, TT and double excitations. In the (Si), segment, n '4 is essentially a two-electron excited state with TT character and the extrapolation of excitation energies to the infinite-chain limit suggests biexciton formation in polysilane.

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