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Intramolecular charge transfer model in fluorescence processes

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Abstract

The absorption–emission processes that characterize the fluorescent phenomena are analyzed by assuming that the changes in the ground state electronic density, when the system is promoted to the first excited state, and that the changes in the first excited state electronic density, when the system decays to a ground state with a distorted geometry, can be interpreted as intramolecular charge transfer processes. Thus, it is shown that in this context the hardness is the property that describes the absorption and the emission energies. Additionally, it is indicated that the substituent effects on the oscillator strengths may be described through the frontier molecular orbital condensed Fukui functions for the charge donating process.

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Acknowledgments

We thank the Laboratorio de Supercómputo y Visualización of Universidad Autónoma Metropolitana-Iztapalapa for the use of their facilities. JCE was supported in part by Conacyt and by Universidad Autónoma Metropolitana through postdoctoral fellowships. JLG thanks Conacyt for Grants 155698 and 237045. We wish to dedicate this work to Alberto Vela, on the occasion of his 60th anniversary. JLG would like to recognize Alberto for being a good student, a good scientist, but mainly a good person and more than a good friend, a brother.

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Authors and Affiliations

  1. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, 09340, Mexico, D.F., Mexico

    Alejandro Piedras, Badhin Gómez, Javier Carmona-Espíndola, Rubén Arroyo & José L. Gázquez

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  1. Alejandro Piedras
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  2. Badhin Gómez
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  3. Javier Carmona-Espíndola
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  4. Rubén Arroyo
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  5. José L. Gázquez
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Correspondence to Alejandro Piedras or José L. Gázquez.

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Published as part of the special collection of articles “Festschrift in honour of A. Vela”.

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Piedras, A., Gómez, B., Carmona-Espíndola, J. et al. Intramolecular charge transfer model in fluorescence processes. Theor Chem Acc 135, 243 (2016). https://doi.org/10.1007/s00214-016-1997-3

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