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One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths

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Abstract

The one-photon (1P) and two-photon (2P) absorption properties of three quadrupolar dyes, featuring thiophene as a donor and acceptors of varying strengths, are determined by a combination of experimental and computational methods employing the density functional theory (DFT). The emission shifts in different solvents are well reproduced by time-dependent DFT calculations with the linear response and state specific approaches in the framework of the polarizable continuum model. The calculations show that the energies of both 1P- and 2P-active states decrease with an increase of the strength of the acceptor. The 2P absorption cross-sections predicted by the response theory are accounted for by considering just one intermediate state (S1) in the sum-over-states formulation. For the chromophore featuring the stronger acceptor, the energetic positions of the 1P- and 2P-active states prevent the exploitation of the theoretically predicted very high 2P activity due to the competing 1P absorption into the S1 state.

Graphical abstract: One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths

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Publication details

The article was received on 03 Jan 2019, accepted on 21 Feb 2019 and first published on 21 Feb 2019


Article type: Paper
DOI: 10.1039/C9PP00006B
Photochem. Photobiol. Sci., 2019, Advance Article

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    One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths

    S. Canola, L. Mardegan, G. Bergamini, M. Villa, A. Acocella, M. Zangoli, L. Ravotto, S. A. Vinogradov, F. Di Maria, P. Ceroni and F. Negri, Photochem. Photobiol. Sci., 2019, Advance Article , DOI: 10.1039/C9PP00006B

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