Theoretical Studies on One-photon and Two-photon Absorption Properties of Pyrene-core Derivatives |
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| Affiliation: | College of Physics and Electronics, Shandong Normal University, Ji'nan 250014, China |
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| Abstract: | The analytic response theory at density functional theory level is applied to investigate one-photon and two-photon absorption properties of a series of recently synthesized pyrene-core derivatives. The theoretical results show that there are a few charge-transfer states for each compound in the lower energy region. The one-photon absorption properties of the five investigated compounds are highly consistent with those given by experimental measure-ments. The two-photon absorption intensities of the compounds are greatly enhanced with the increments of the molecular sizes, in which the two-photon absorption cross section of the four-branched compound is about 5.6 times of that of the mono-branched molecule. Further-more, it is shown that the two-photon absorption properties are sensitive to the geometrical arrangements. |
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| Keywords: | Two-photon absorption Response theory Pyrene-core derivative |
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