Chain Conformations and Photoluminescence in Poly(di-n-octylfluorene)

摘要

The diverse steady-state spectroscopic properties of poly(di-n-octylfluorene)are addressed from a molecular-level perspective. Modeling of representativeoligomers support the experimental observation of at least threedistinguishable classes of conformational isomers with differing chain torsionangles. One class appears to be populated by a single compact structural isomerand this conforms to the so called beta phase. A rigorous Franck-Condonanalysis of the photoluminescence in conjunction with Frenkel-type exciton bandstructure calculations are performed. These results accurately reproduce allmajor spectral features of the photoabsorption and those of singlet excitonemission.