Theoretical modeling of two-photon absorption of benzoxazoles exhibiting excited state proton transfer

Journal Title: Journal of Physics and Electronics - Year 2018, Vol 26, Issue 2

Abstract

Two-photon absorption spectra of 2-(2'-hydroxyphenyl)benzoxazole, 2,5-bis(2-benzoxazolyl)phenol and 2,5-bis(2-benzoxazolyl)hydroquinone are modeled by time-dependent density functional theory calculations. In contrast to the linear absorption, where the transitions to the two lowest excited states are leading, the two-photon absorption cross sections are significant for the transitions to higher states which are weak in one-photon absorption spectra. The 2,5-bis(2-benzoxazolyl)phenol and 2,5-bis(2-benzoxazolyl)hydroquinone demonstrate the maximum cross section of about ten times larger than that of 2-(2'-hydroxyphenyl)benzoxazole. The largest value of the cross section is calculated for 2,5-bis(2- benzoxazolyl)hydroquinone to be about 1500 units of Goeppert-Mayer for excitation at 600 nm.

Authors and Affiliations

Y. Syetov

Keywords

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  • EP ID EP631725
  • DOI 10.15421/331824
  • Views 148
  • Downloads 0

How To Cite

Y. Syetov (2018). Theoretical modeling of two-photon absorption of benzoxazoles exhibiting excited state proton transfer. Journal of Physics and Electronics, 26(2), 55-58. https://www.europub.co.uk/articles/-A-631725