Valence and Rydberg excitations of 3-fluorotoluene in the 4.4–10.8 eV photoabsorption energy region

E. Bandeira,S. Kumar, A.I. Lozano,M.H.F. Bettega, S.V. Hoffmann,N.C. Jones,A. Souza Barbosa,P. Limão-Vieira

Journal of Quantitative Spectroscopy and Radiative Transfer（2024）

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摘要

•3-fluorotoluene high-resolution photoabsorption spectrum.•Absolute cross-section values in the 4.4–10.8 eV photon energy range.•Valence, mixed valence-Rydberg and Rydberg excitations.•Theoretical calculations at time dependent density functional theory and the equation-of-motion coupled-cluster singles and doubles.•Photolysis rates in the Earth's atmosphere (0–50 km).

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关键词

3-fluorotoluene,C7H7F, Electronic excitation,Vibrational excitation,Rydberg series,Ab initio calculations, Photoabsorption, Synchrotron radiation

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