Linear and nonlinear optical properties of azobenzene derivatives.
The results of computations of spectroscopic parameters of lowest-lying electronic excited states of azobenezene derivatives are presented. The analysis of experimentally recorded spectra was supported by quantum chemical calculations using density functional theory. The theoretically determined resonant (two-photon absorption probabilities) and non-resonant (first-order hyperpolarisability) nonlinear optical properties are also discussed, with an eye towards the performance of recently proposed long-range corrected (LRC) schemes (LC-BLYP and CAM-B3LYP functionals).
Krawczyk
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Department of Physical Chemistry, Collegium Medicum, Nicolaus Copernicus University, Kurpińskiego 5, 85-950 Bydgoszcz, Poland.
Kaczmarek
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A
Zaleśny
R
R
Matczyszyn
K
K
Bartkowiak
W
W
Ziółkowski
M
M
Cysewski
P
P
D000465:Algorithms; D001391:Azo Compounds / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D011789:Quantum Theory; D013053:Spectrophotometry / Q000379:methods*
D001391:Azo Compounds; C009850:azobenzene