Abstract
The two-photon absorption properties of two newly synthesized compounds containing fluorene as a π centre(denoted SK-G1 and NT-G1) were calculated using a response function method with density functional theory.Results show that both compounds have large one-photon and two-photon absorption abilities.In the low energy region,the maximum one-photon absorption strength of NT-G1 is twice as much as that of SK-G1 and its maximum absorption is red shifted compared to that for SK-G1.The maximum two-photon absorption cross section of NT-G1 is about five times as large as that of SK-G1 and those are found for the second excited states.Furthermore,NT-G1 has a wider two-photon absorption energy band.The optical properties of the molecules are closely related to their charge transfer processes when they are excited.The solvent effect on their one-photon absorption properties was calculated using the Onsager model.The numerical calculation is found to be in good agreement with experimental measurements.
Published Version
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