Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/153613
Title: Characterization of the ultrafast spectral diffusion and vibronic coherence of TIPS-pentacene using 2D electronic spectroscopy
Authors: Le, Duc Viet
Perrelle, Jessica M. de la
Do, Thanh Nhut
Leng, Xuan
Tapping, Patrick C.
Scholes, Gregory D.
Kee, Tak W.
Tan, Howe-Siang
Keywords: Science::Chemistry
Issue Date: 2021
Source: Le, D. V., Perrelle, J. M. D. L., Do, T. N., Leng, X., Tapping, P. C., Scholes, G. D., Kee, T. W. & Tan, H. (2021). Characterization of the ultrafast spectral diffusion and vibronic coherence of TIPS-pentacene using 2D electronic spectroscopy. Journal of Chemical Physics, 155(1), 014302-. https://dx.doi.org/10.1063/5.0055528
Project: Tier 1 RG2/19
Journal: Journal of Chemical Physics
Abstract: TIPS-pentacene is a small-molecule organic semiconductor that is widely used in optoelectronic devices. It has been studied intensely owing to its ability to undergo singlet fission. In this study, we aim to develop further understanding of the coupling between the electronic and nuclear degrees of freedom of TIPS-pentacene (TIPS-Pn). We measured and analyzed the 2D electronic spectra of TIPS-Pn in solutions. Using center line slope (CLS) analysis, we characterized the frequency-fluctuation correlation function of the 0-0 vibronic transition. Strong oscillations in the CLS values were observed for up to 5 ps with a frequency of 264 cm-1, which are attributable to a large vibronic coupling with the TIPS-Pn ring-breathing vibrational mode. In addition, detailed analysis of the CLS values allowed us to retrieve two spectral diffusion lifetimes, which are attributed to the inertial and diffusive dynamics of solvent molecules. Amplitude beating analysis also uncovered couplings with another vibrational mode at 1173 cm-1. The experimental results can be described using the displaced harmonic oscillator model. By comparing the CLS values of the simulated data with the experimental CLS values, we estimated a Huang-Rhys factor of 0.1 for the ring-breathing vibrational mode. The results demonstrated how CLS analysis can be a useful method for characterizing the strength of vibronic coupling.
URI: https://hdl.handle.net/10356/153613
ISSN: 0021-9606
DOI: 10.1063/5.0055528
Rights: © 2021 Author(s). All rights reserved. This paper was published by AIP Publishing in Journal of Chemical Physics and is made available with permission of Author(s).
Fulltext Permission: embargo_20220708
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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