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Theoretical studies...
Theoretical studies on nonlinear optical properties of two newly synthesized compounds : PVPHC and DPVPA
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Sun, Y. H. (author)
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Zhao, K. (author)
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- Wang, Chuankui (author)
- KTH,Teoretisk kemi
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- Luo, Yi (author)
- KTH,Bioteknologi
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Yan, Y. X. (author)
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Tao, X. T. (author)
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Jiang, M. H. (author)
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(creator_code:org_t)
- Elsevier BV, 2004
- 2004
- English.
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In: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 394:03-jan, s. 176-181
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Keyword
- absorption cross-sections
- 2-photon absorption
- multibranched structures
- chromophores
- molecules
Publication and Content Type
- ref (subject category)
- art (subject category)
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