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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/4729

Title: Correlated theory of triplet photoinduced absorption in phenylene-vinylene chains
Authors: SHUKLA, A
Keywords: pi-conjugated polymers
excited-states
singlet
spectroscopy
excitations
stilbene
spectra
Issue Date: 2002
Publisher: AMERICAN PHYSICAL SOC
Citation: PHYSICAL REVIEW B, 65(12), -
Abstract: In this paper, the results of large-scale correlated calculations of the triplet photoinduced-absorption (PA) spectrum of oligomers of poly-(para)phenylenevinylene (PPV) containing up to five phenyl rings are presented. In particular, the high-energy features in the triplet PA spectrum of oligo-PPV's are the focus of this study, which, to our knowledge, have not been investigated theoretically or experimentally. The calculations were performed using the Pariser-Parr-Pople model Hamiltonian and many-body effects were taken into account by means of the multireference singles-doubles configuration-interaction procedure without neglecting any molecular orbitals. The computed triplet PA spectrum of oligo-PPV's exhibits rich structure consisting of alternating peaks of high and low intensities. The predicted higher-energy features of the triplet spectrum can be tested in future experiments. Additionally, theoretical estimates of exciton binding energy are also presented.
URI: http://dx.doi.org/10.1103/PhysRevB.65.125204
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4729
http://hdl.handle.net/10054/4729
ISSN: 1098-0121
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