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 | |
| Publication status | Published - 2002 Mar 25 |
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All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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Theoretical studies on the optical absorption in MEH-DSB oligomer. / Guo, Fangyeong.
In: Chemical Physics Letters, Vol. 355, No. 1-2, 25.03.2002, p. 89-93.Research output: Contribution to journal › Article
TY - JOUR
T1 - Theoretical studies on the optical absorption in MEH-DSB oligomer
AU - Guo, Fangyeong
PY - 2002/3/25
Y1 - 2002/3/25
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=0037170882&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037170882&partnerID=8YFLogxK
U2 - 10.1016/S0009-2614(02)00191-4
DO - 10.1016/S0009-2614(02)00191-4
M3 - Article
AN - SCOPUS:0037170882
VL - 355
SP - 89
EP - 93
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-2
ER -