Search: onr:"swepub:oai:DiVA.org:kth-23643" >
Theoretical studies...
Theoretical studies on nonlinear optical properties of two newly synthesized compounds : PVPHC and DPVPA
- Article/chapterEnglish2004
Publisher, publication year, extent ...
-
Elsevier BV,2004
-
printrdacarrier
Numbers
-
LIBRIS-ID:oai:DiVA.org:kth-23643
-
https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-23643URI
-
https://doi.org/10.1016/j.cplett.2004.07.003DOI
Supplementary language notes
-
Language:English
-
Summary in:English
Part of subdatabase
Classification
-
Subject category:ref swepub-contenttype
-
Subject category:art swepub-publicationtype
Notes
-
QC 20100525 QC 20110927
-
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 and genre
Added entries (persons, corporate bodies, meetings, titles ...)
-
Zhao, K.
(author)
-
Wang, ChuankuiKTH,Teoretisk kemi(Swepub:kth)u1b6tewf
(author)
-
Luo, YiKTH,Bioteknologi(Swepub:kth)u126eitw
(author)
-
Yan, Y. X.
(author)
-
Tao, X. T.
(author)
-
Jiang, M. H.
(author)
-
KTHTeoretisk kemi
(creator_code:org_t)
Related titles
-
In:Chemical Physics Letters: Elsevier BV394:03-jan, s. 176-1810009-26141873-4448
Internet link
Find in a library
To the university's database