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- Sun, Y. H., et al.
(författare)
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Theoretical studies on nonlinear optical properties of two newly synthesized compounds : PVPHC and DPVPA
- 2004
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 394:03-jan, s. 176-181
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Tidskriftsartikel (refereegranskat)abstract
- The nonlinear optical properties of two newly synthesized molecules 9-(4-{2-[4-(2-pyridin-4-yl-vinyl)-phenyl]-vinyl}-phenyl)-9H-carbazole (PVPHC) and diphenyl-(4-{2-[4-(2-pyridin-4-yl-vinyl)-phenyl]-vinyl}-phenyl)-amine (DPVPA) have been studied using hybrid density functional theory at B3LYP level. A few-state model, as well as response theory, have been employed to calculate their two-photon absorption cross-sections. The theoretical results are in good agreement with the experimental measurements available. It is found that the maximal two-photon absorption cross-sections of these compounds can be well described by a three-state model and both compounds have large two-photon absorption cross-section in optical regime. Strong charge-transfer process upon excitation has been revealed, indicating that these two compounds are good candidates as two-photon polymerization initiators.
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| 2. |
- Sun, Y. H., et al.
(författare)
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Two-photon absorption properties of multi-branched bis-(styryl)benzene based organic chromophores
- 2004
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Ingår i: Journal of Molecular Structure. - : Elsevier BV. - 0166-1280. ; 682:03-jan, s. 185-189
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Tidskriftsartikel (refereegranskat)abstract
- Two-photon absorption (TPA) cross-sections of a series of multi-branched trans-stilbene charge transfer compounds with benzene as the coupling center have been theoretically investigated using analytical response theory at the random phase approximation level. It shows that the TPA cross-sections of compounds with a quasi-one-dimensional geometrical arrangement can be enhanced through the pure electronic coupling of different branches. The effects of different combination of donor/acceptor substitutions on the TPA cross-sections have also been discussed.
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| 3. |
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