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Theoretical studies...
Theoretical studies on nonlinear optical properties of two newly synthesized compounds : PVPHC and DPVPA
- Artikel/kapitelEngelska2004
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Elsevier BV,2004
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LIBRIS-ID:oai:DiVA.org:kth-23643
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-23643URI
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https://doi.org/10.1016/j.cplett.2004.07.003DOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:art swepub-publicationtype
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QC 20100525 QC 20110927
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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.
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Zhao, K.
(författare)
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Wang, ChuankuiKTH,Teoretisk kemi(Swepub:kth)u1b6tewf
(författare)
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Luo, YiKTH,Bioteknologi(Swepub:kth)u126eitw
(författare)
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Yan, Y. X.
(författare)
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Tao, X. T.
(författare)
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Jiang, M. H.
(författare)
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KTHTeoretisk kemi
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Chemical Physics Letters: Elsevier BV394:03-jan, s. 176-1810009-26141873-4448
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