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Correlated theory of triplet photoinduced absorption in phenylene-vinylene chains

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Title Correlated theory of triplet photoinduced absorption in phenylene-vinylene chains
 
Creator SHUKLA, A
 
Subject pi-conjugated polymers
excited-states
singlet
spectroscopy
excitations
stilbene
spectra
 
Description 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.
 
Publisher AMERICAN PHYSICAL SOC
 
Date 2011-07-17T12:31:12Z
2011-12-26T12:50:18Z
2011-12-27T05:36:31Z
2011-07-17T12:31:12Z
2011-12-26T12:50:18Z
2011-12-27T05:36:31Z
2002
 
Type Article
 
Identifier PHYSICAL REVIEW B, 65(12), -
1098-0121
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
 
Language en