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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 68, Number 3
JKCSEZ 68(3)
June 20, 2024

Title	Assessment of the Intermolecular π?π Configurations of Poly(3-Hexylthiophene) using Polarized Raman Spectroscopy
Author	Juwon Kim, Myeongkee Park
Keywords	Poly(3-hexylthiophene), P3HT, Raman, Depolarization ratio, π?π overlap
Abstract	Precise molecular configuration elucidation of poly(3-hexylthiophene) (P3HT) through advanced spectroscopic techniques is pivotal for enhancing P3HT-based photovoltaic device efficiencies since its high charge-carrier mobility is directly correlated to its well-ordered structure. In this study, we examine Raman depolarization ratios of annealed and non-annealed P3HT films to elucidate their intermolecular π?π configurations. Our findings suggest that the backbone of the annealed film possesses stronger π?π conjugation overlaps than that of the non-annealed film owing to the greater depolarization ratio of the annealed film. In addition, the depolarization ratios are also supported by theoretical calculations, where parallel-stacked thiophene structures display a higher depolarization ratio compared with that of twisted-stacked structures, as calculated by the Møller?Plesset perturbation theory. This study highlights the utility of polarized Raman spectroscopy as a versatile tool for assessing the degree of molecular order in highly conjugated polymer films.
Page	146 - 150
Full Text	PDF

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