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Updated: Jun 10, 2025

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Effect of Leaving Centrosymmetric Character on Spectral Properties in Mono-, Bi-, and Triphotonic Absorption
Ricard Gelabert1, Miquel Moreno1, José M Lluch1,2
1Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain.
Abstract:
Numerical simulations of the absorption bands of photoswitch E-o-tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the behavior of transition probability under distortion of planarity reveal many similarities between the mono- and triphoton spectroscopic behaviors with a two-photon spectrum being set apart. The position of the absorption peak for the studied nπ* and ππ* transitions appears shifted to lower energies (longer wavelengths) than the conventional estimate based on vertical excitation from the ground-state potential energy minimum.
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