Two-photon absorption in oxazole derivatives: An experimental and quantum chemical study

Experimental and theoretical studies on the two-photon absorption properties of two oxazole derivatives: 2,5-diphenyloxazole (PPO) and 2-(4-biphenylyI)-5-phenyl-1,3,4-oxadiazole (PBD) are presented. The two-photon absorption cross-section spectra were determined by means of the Z-scan technique, from 460 up to 650 nm, and reached peak values of 84 GM for PBD and 27 GM for PPO. Density Functional Theory and response function formalism are used to determine the molecular structures and the one- and two-photon absorption properties and to assist in the interpretation of the experimental results. The Polarizable Continuum Model in one-photon absorption calculations is used to estimate solvent effects. (C) 2011 Elsevier B.V. All rights reserved.

Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP)

Fapesp (Fundacao de Amparo a Pesquisa do Estado de Sao Paulo)

Conselho Nacional de Desenvolvimento Cientifico (CNPq)

CNPq (Conselho Nacional de Desenvolvimento Cientifico)

CAPES (Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior)

Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES)

Financiadora de Estudos e Projetos (FINEP)

FINEP (Financiadora de Estudos e Projetos)

FAPEPI (Fundacao de Amparo a Pesquisa do Estado do Piaui)

FAPEPI (Fundacao de Amparo a Pesquisa do Estado do Piaui)

UFPI (Universidade Federal do Piaui), from Brazil

UFPI (Universidade Federal do Piaui), from Brazil