Revealing spectral features in two-photon absorption spectrum of Hoechst 33342: a combined experimental and quantum-chemical study

J Phys Chem B. 2013 Oct 10;117(40):12013-9. doi: 10.1021/jp407144k. Epub 2013 Sep 25.

Abstract

We present the results of wide spectral range Z-scan measurements of the two-photon absorption (2PA) spectrum of the Hoechst 33342 dye. The strongest 2PA of the dye in aqueous solution is found at 575 nm, and the associated two-photon absorption cross section is 245 GM. A weak but clearly visible 2PA band at ∼850 nm is also observed, a feature that could not be anticipated from the one-photon absorption spectrum. On the basis of the results of hybrid quantum mechanics/molecular mechanics calculations, we put forward a notion that the long-wavelength feature observed in the two-photon absorption spectrum of Hoechst 33342 is due to the formation of dye aggregates.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzimidazoles / chemistry*
  • Fluorescent Dyes / chemistry
  • Molecular Dynamics Simulation
  • Photons
  • Quantum Theory*
  • Spectrometry, Fluorescence

Substances

  • Benzimidazoles
  • Fluorescent Dyes
  • bisbenzimide ethoxide trihydrochloride