A theoretical and experimental study of non-linear absorption properties of substituted 2,5-di-(phenylethynyl)thiophenes and structurally related compounds
2009 (English)In: MOLECULAR PHYSICS, ISSN 0026-8976 , Vol. 107, no 7, 629-641 p.Article in journal (Refereed) Published
Photo-physical properties relevant for optical power limiting in the near-visible and visible regions of the spectrum are reported for a series of substituted diarylalkynyl chalcogenophenes (furans, thiophenes, selenophenes, and tellurophenes). The linear ground and excited state absorption as well as the nonlinear (two-photon) absorption were determined at the time-dependent density functional theory level with use of the hybrid exchange-correlation functionals B3LYP and CAM-B3LYP. A selected number of the theoretically studied molecules were synthesized and characterized experimentally with the use of absorption and luminescence spectroscopy. The photo-physical data are compared to the results from optical power limiting measurements performed in THF solution at a wavelength of 532 nm, with a laser pulse length of 5 ns and pulse energies up to 150 J. The best compounds in the present investigation display an energy damping by approximately a factor of 10 at a concentration of 0.010 M.
Place, publisher, year, edition, pages
2009. Vol. 107, no 7, 629-641 p.
density functional theory, two-photon absorption, excited state absorption, optical limiting, chalcogenophenes, thiophenes, DFT, TPA
IdentifiersURN: urn:nbn:se:liu:diva-18940DOI: 10.1080/00268970902845289OAI: oai:DiVA.org:liu-18940DiVA: diva2:222102