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http://dx.doi.org/10.5012/bkcs.2004.25.5.704

Structure and Luminescence Properties of Poly(1-hexyl-3,4-dimethyl-2,5-pyrrolylene)  

Kang, Jun-Gill (Department of Chemistry, Chungnam National University)
Kim, Tack-Jin (Department of Chemistry, Chungnam National University)
Park, Chang-Moon (Department of Chemistry, Chungnam National University)
Woo, Lee-Sang (Department of Chemistry, Kwangwoon University)
Kim, In-Tae (Department of Chemistry, Kwangwoon University)
Publication Information
Bulletin of the Korean Chemical Society / v.25, no.5, 2004 , pp. 704-710 More about this Journal
Abstract
A poly(1-hexyl-3,4-dimethyl-2,5-pyrrolylene) (PHDP) was prepared and its luminescence in tetrahydrofuran (THF) was studied. When PHDP is excited by UV light, it produces very strong blue luminescence. The quantum yield of PHDP (Q = 36.9%) is much greater than that of the monomer, 1-hexyl-3,4-dimethylpyrrole (HDP) with Q = 0.61%. The principal luminescence of PHDP has a single decay component with ca. 1 ns, whereas the decay of HDP is complicated. The molecular structure and conformational behavior of HDP and the oligomers up to trimer have been also determined by ab initio Hartree-Fock (HF/6-31$G^{**}$), density functional theory (DFT-B3LYP/6-31$G^{**}$), and semiempirical (ZINDO) methods. According to the results of calculations, it is proposed that the enhanced quantum yield of the polymer PHDP results mostly from the ${\pi}$-conjugation between neighboring pyrrole rings.
Keywords
Poly(1-hexyl-3,4-dimethyl-2,5-pyrrolylene); Luminescence; Quantum yield; Structural calcula-tion;
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