dc.contributor.author |
Castet, Frédéric
|
|
dc.contributor.author |
Gillet, Adrien
|
|
dc.contributor.author |
Bureš, Filip
|
|
dc.contributor.author |
Plaquet, Aurélie
|
|
dc.contributor.author |
Rodriguez, Vincent
|
|
dc.contributor.author |
Champagne, Benoit
|
|
dc.date.accessioned |
2022-06-03T12:27:04Z |
|
dc.date.available |
2022-06-03T12:27:04Z |
|
dc.date.issued |
2021 |
|
dc.identifier.issn |
0143-7208 |
|
dc.identifier.uri |
https://hdl.handle.net/10195/79271 |
|
dc.description.abstract |
The linear and nonlinear optical (NLO) properties of a series of A-shaped derivatives containing a 4,5-dicyanopyrazine acceptor unit, N,N-dimethylamino donor groups and systematically enlarged pi-conjugated linkers are investigated by means of UV/Visible and Hyper-Rayleigh scattering spectroscopies. Density functional theory calculations are also carried out to rationalize the magnitude and symmetry of the NLO responses. The results demonstrate that these compounds possess two low-lying excited electronic states close to each other in energy, which are accessible through one-photon optical transitions respectively polarized perpendicular and parallel to the two-fold molecular axis. These two states contribute additively to the first hyperpolarizability, which exhibits a dominant dipolar character. We also show that the NLO responses significantly deviate from Kleinman's index permutation symmetry. |
eng |
dc.format |
p. 108850 |
eng |
dc.language.iso |
eng |
|
dc.publisher |
Elsevier Science |
eng |
dc.relation.ispartof |
Dyes and Pigments, volume 184, issue: January |
eng |
dc.rights |
Článek ve verzi „published“ je přístupný pouze v rámci univerzity. |
cze |
dc.subject |
pyrazines |
eng |
dc.subject |
nonlinear optics |
eng |
dc.subject |
Hyper-Rayleigh scattering |
eng |
dc.subject |
first hyperpolarizability |
eng |
dc.subject |
Kleinman symmetry |
eng |
dc.subject |
density functional theory |
eng |
dc.subject |
nelineární optické vlastnosti druhého řádu |
cze |
dc.subject |
pyrazin |
cze |
dc.subject |
DFT kalkulace |
cze |
dc.subject |
Kleinman symetrie |
cze |
dc.title |
Second-order nonlinear optical properties of Lambda-shaped pyrazine derivatives |
eng |
dc.title.alternative |
Nelineární optické vlastnosti druhého řádu derivátů pyrazinu tvaru lambda |
cze |
dc.type |
article |
eng |
dc.description.abstract-translated |
Nelineární optické vlastnosti (NLO) série derivátů 4,5-dikyanpyrazinu tvaru L nesoucích N,N-dimethylamino donorní skupinu a systematicky se prodlužující pi-konjugovaný linker byly studovány prostřednictvím UV/vis a Hyper-Rayleigh spektroskopie. Rovněž byly provedeny DFT kalkulace. |
cze |
dc.peerreviewed |
yes |
eng |
dc.publicationstatus |
published version |
eng |
dc.identifier.doi |
10.1016/j.dyepig.2020.108850 |
|
dc.relation.publisherversion |
https://doi.org/10.1016/j.dyepig.2020.108850 |
|
dc.identifier.wos |
000580897700093 |
|
dc.identifier.scopus |
2-s2.0-85091582906 |
|
dc.identifier.obd |
39886152 |
|