Matches in SemOpenAlex for { <https://semopenalex.org/work/W3014765829> ?p ?o ?g. }
Showing items 1 to 77 of
77
with 100 items per page.
- W3014765829 abstract "The conversions of photophysical and nonlinear optical (NLO) properties in [32]octaphyrins(1.0.1.0.1.0.1.0) following macrocyclic isomerization between Huckel and Mobius topologies have been studied in detail by means of quantum chemistry calculations. Compared to their quasi-planar analogues, the twisted Mobius and the figure-eight Huckel conformers exhibit red- and blue-shifted absorptions, respectively. The fluorescence emissions of Huckel topological molecules are likely to be from the second excited state, while the Mobius ones should emit photons from the first excited state by following Kasha’s rule. The average polarizabilities of octaphyrins reveal certain regularity with regard to their topologies, but is not particularly large; with the π-conjugation enhanced, the polarizability value increased moderately. The static first- and second-order hyperpolarizabilities of Mobius conformations are almost all much higher than those of Huckel conformers, and the figure-eight Huckel structures exhibit relatively high values than the quasi-planar Huckel ones. Regarding the frequency dispersions under the incident light, the strong optical resonance effects were found on the first- and second-order hyperpolarizability of molecules, which contrast with the fact that it has modest influences on the average polarizability. The primary cause of the performance differences in optical properties of the octaphyrins has also been probed from different perspectives by various methods of electronic wavefunction analysis. Generally, we confirm that the topological transformation of expanded porphyrins can be used as a special switch to trigger various optical properties." @default.
- W3014765829 created "2020-04-10" @default.
- W3014765829 creator A5036145381 @default.
- W3014765829 creator A5048959702 @default.
- W3014765829 date "2019-01-01" @default.
- W3014765829 modified "2023-09-24" @default.
- W3014765829 title "Controllable Photophysical and Nonlinear Properties in Conformation Isomerization of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0) Involving Hückel and Möbius Topologies" @default.
- W3014765829 hasPublicationYear "2019" @default.
- W3014765829 type Work @default.
- W3014765829 sameAs 3014765829 @default.
- W3014765829 citedByCount "0" @default.
- W3014765829 crossrefType "journal-article" @default.
- W3014765829 hasAuthorship W3014765829A5036145381 @default.
- W3014765829 hasAuthorship W3014765829A5048959702 @default.
- W3014765829 hasConcept C113603373 @default.
- W3014765829 hasConcept C121332964 @default.
- W3014765829 hasConcept C126661725 @default.
- W3014765829 hasConcept C139210041 @default.
- W3014765829 hasConcept C139287275 @default.
- W3014765829 hasConcept C139358910 @default.
- W3014765829 hasConcept C147597530 @default.
- W3014765829 hasConcept C159467904 @default.
- W3014765829 hasConcept C161790260 @default.
- W3014765829 hasConcept C178790620 @default.
- W3014765829 hasConcept C181500209 @default.
- W3014765829 hasConcept C184779094 @default.
- W3014765829 hasConcept C185592680 @default.
- W3014765829 hasConcept C18705241 @default.
- W3014765829 hasConcept C2780694488 @default.
- W3014765829 hasConcept C32909587 @default.
- W3014765829 hasConcept C41999313 @default.
- W3014765829 hasConcept C66907805 @default.
- W3014765829 hasConceptScore W3014765829C113603373 @default.
- W3014765829 hasConceptScore W3014765829C121332964 @default.
- W3014765829 hasConceptScore W3014765829C126661725 @default.
- W3014765829 hasConceptScore W3014765829C139210041 @default.
- W3014765829 hasConceptScore W3014765829C139287275 @default.
- W3014765829 hasConceptScore W3014765829C139358910 @default.
- W3014765829 hasConceptScore W3014765829C147597530 @default.
- W3014765829 hasConceptScore W3014765829C159467904 @default.
- W3014765829 hasConceptScore W3014765829C161790260 @default.
- W3014765829 hasConceptScore W3014765829C178790620 @default.
- W3014765829 hasConceptScore W3014765829C181500209 @default.
- W3014765829 hasConceptScore W3014765829C184779094 @default.
- W3014765829 hasConceptScore W3014765829C185592680 @default.
- W3014765829 hasConceptScore W3014765829C18705241 @default.
- W3014765829 hasConceptScore W3014765829C2780694488 @default.
- W3014765829 hasConceptScore W3014765829C32909587 @default.
- W3014765829 hasConceptScore W3014765829C41999313 @default.
- W3014765829 hasConceptScore W3014765829C66907805 @default.
- W3014765829 hasLocation W30147658291 @default.
- W3014765829 hasOpenAccess W3014765829 @default.
- W3014765829 hasPrimaryLocation W30147658291 @default.
- W3014765829 hasRelatedWork W158768911 @default.
- W3014765829 hasRelatedWork W192074519 @default.
- W3014765829 hasRelatedWork W1979253609 @default.
- W3014765829 hasRelatedWork W1982449899 @default.
- W3014765829 hasRelatedWork W2006479883 @default.
- W3014765829 hasRelatedWork W2038109958 @default.
- W3014765829 hasRelatedWork W2092774506 @default.
- W3014765829 hasRelatedWork W2141625667 @default.
- W3014765829 hasRelatedWork W2496115142 @default.
- W3014765829 hasRelatedWork W2514839441 @default.
- W3014765829 hasRelatedWork W2547897757 @default.
- W3014765829 hasRelatedWork W2559483878 @default.
- W3014765829 hasRelatedWork W2591588919 @default.
- W3014765829 hasRelatedWork W2789378645 @default.
- W3014765829 hasRelatedWork W2964994825 @default.
- W3014765829 hasRelatedWork W2992870611 @default.
- W3014765829 hasRelatedWork W3036058307 @default.
- W3014765829 hasRelatedWork W3090647272 @default.
- W3014765829 hasRelatedWork W3090792119 @default.
- W3014765829 hasRelatedWork W3201597241 @default.
- W3014765829 isParatext "false" @default.
- W3014765829 isRetracted "false" @default.
- W3014765829 magId "3014765829" @default.
- W3014765829 workType "article" @default.