Theoretical studies on the optical absorption in MEH-DSB oligomer

Fangyeong Guo

doi:10.1016/S0009-2614(02)00191-4

Theoretical studies on the optical absorption in MEH-DSB oligomer

Fangyeong Guo

Department of Physics

Research output: Contribution to journal › Article › peer-review

Abstract

We report theoretical studies on the optical absorption in 2-methoxy-5-(2′-ethyl-hexyloxy)-distyrl benzene (MEH-DSB). We first produce the major absorption features existing in experimental results, in particular a weak band at 5.1 eV, which has not been observed in poly(p-phenylene vinylene) (PPV). We find that this band can appear only when the strength of intersite Coulomb interactions becomes smaller, in comparison with that in five-ring PPV oligomer with no substituents. Detailed analysis of wavefunctions related to the corresponding absorption bands will give correct assignments.

Original language	English
Pages (from-to)	89-93
Number of pages	5
Journal	Chemical Physics Letters
Volume	355
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(02)00191-4
Publication status	Published - 2002 Mar 25

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(02)00191-4

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abstract = "We report theoretical studies on the optical absorption in 2-methoxy-5-(2′-ethyl-hexyloxy)-distyrl benzene (MEH-DSB). We first produce the major absorption features existing in experimental results, in particular a weak band at 5.1 eV, which has not been observed in poly(p-phenylene vinylene) (PPV). We find that this band can appear only when the strength of intersite Coulomb interactions becomes smaller, in comparison with that in five-ring PPV oligomer with no substituents. Detailed analysis of wavefunctions related to the corresponding absorption bands will give correct assignments.",

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AB - We report theoretical studies on the optical absorption in 2-methoxy-5-(2′-ethyl-hexyloxy)-distyrl benzene (MEH-DSB). We first produce the major absorption features existing in experimental results, in particular a weak band at 5.1 eV, which has not been observed in poly(p-phenylene vinylene) (PPV). We find that this band can appear only when the strength of intersite Coulomb interactions becomes smaller, in comparison with that in five-ring PPV oligomer with no substituents. Detailed analysis of wavefunctions related to the corresponding absorption bands will give correct assignments.

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