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

Bulletin of the Korean chemical society

In Tae Kim¹  Jun-Gill Kang¹  Tack-Jin Kim¹  Changmoon Park¹  Lee Sang Woo¹ 

关键词: Poly(1-hexyl-3;    4-dimethyl-2;    5-pyrrolylene);    Luminescence;    Quantum yield;    Structural calculation;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

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/6-31G**), density functional theory (DFT-B3LYP/6-31G**), 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 �?- conjugation between neighboring pyrrole rings.

【 授权许可】

Unknown