Literature DB >> 19139933

Linear and nonlinear optical properties of azobenzene derivatives.

P Krawczyk1, A Kaczmarek, R Zaleśny, K Matczyszyn, W Bartkowiak, M Ziółkowski, P Cysewski.   

Abstract

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).

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Year:  2009        PMID： 19139933     DOI： 10.1007/s00894-008-0436-3

Source DB:  PubMed          Journal:  J Mol Model        ISSN： 0948-5023            Impact factor:   1.810


  22 in total

1.  Excitations in time-dependent density-functional theory.

Authors:  H Appel; E K U Gross; K Burke
Journal:  Phys Rev Lett       Date:  2003-01-31       Impact factor: 9.161

2.  TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids.

Authors:  Denis Jacquemin; Eric A Perpète; Gustavo E Scuseria; Ilaria Ciofini; Carlo Adamo
Journal:  J Chem Theory Comput       Date:  2008-01       Impact factor: 6.006

3.  Time-dependent density functional theory: past, present, and future.

Authors:  Kieron Burke; Jan Werschnik; E K U Gross
Journal:  J Chem Phys       Date:  2005-08-08       Impact factor: 3.488

4.  Assessment of the efficiency of long-range corrected functionals for some properties of large compounds.

Authors:  Denis Jacquemin; Eric A Perpète; Giovanni Scalmani; Michael J Frisch; Rika Kobayashi; Carlo Adamo
Journal:  J Chem Phys       Date:  2007-04-14       Impact factor: 3.488

5.  Assessment of a Coulomb-attenuated exchange-correlation energy functional.

Authors:  Michael J G Peach; Trygve Helgaker; Paweł Sałek; Thomas W Keal; Ola B Lutnaes; David J Tozer; Nicholas C Handy
Journal:  Phys Chem Chem Phys       Date:  2005-11-15       Impact factor: 3.676

6.  Assessment of time-dependent density functional schemes for computing the oscillator strengths of benzene, phenol, aniline, and fluorobenzene.

Authors:  Masanori Miura; Yuriko Aoki; Benoît Champagne
Journal:  J Chem Phys       Date:  2007-08-28       Impact factor: 3.488

7.  Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.

Authors:  Kyrill Yu Suponitsky; Sergio Tafur; Artëm E Masunov
Journal:  J Chem Phys       Date:  2008-07-28       Impact factor: 3.488

8.  Theoretical study of the two-photon absorption properties of several asymmetrically substituted stilbenoid molecules.

Authors:  Koji Ohta; Liudmil Antonov; Satoru Yamada; Kenji Kamada
Journal:  J Chem Phys       Date:  2007-08-28       Impact factor: 3.488

9.  Optical switching and image storage by means of azobenzene liquid-crystal films.

Authors:  T Ikeda; O Tsutsumi
Journal:  Science       Date:  1995-06-30       Impact factor: 47.728

10.  Calculation of electric dipole (hyper)polarizabilities by long-range-correction scheme in density functional theory: a systematic assessment for polydiacetylene and polybutatriene oligomers.

Authors:  Bernard Kirtman; Sean Bonness; Alejandro Ramirez-Solis; Benoit Champagne; Hironori Matsumoto; Hideo Sekino
Journal:  J Chem Phys       Date:  2008-03-21       Impact factor: 3.488
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  3 in total

1.  DFT study of linear and nonlinear optical properties of donor-acceptor substituted stilbenes, azobenzenes and benzilideneanilines.

Authors:  Przemysław Krawczyk
Journal:  J Mol Model       Date:  2009-12-04       Impact factor: 1.810

Review 2.  Two-photon absorption and two-photon-induced isomerization of azobenzene compounds.

Authors:  Marta Dudek; Nina Tarnowicz-Staniak; Marco Deiana; Ziemowit Pokładek; Marek Samoć; Katarzyna Matczyszyn
Journal:  RSC Adv       Date:  2020-11-06       Impact factor: 4.036

3.  Effect of 2-Methylthiazole Group on Photoinduced Birefringence of Thiazole-Azo Dye Host-Guest Systems at Different Wavelengths of Irradiation.

Authors:  Beata Derkowska-Zielinska; Anna Kozanecka-Szmigiel; Dariusz Chomicki; Vitaliy Smokal; Yutaka Kawabe; Oksana Krupka
Journal:  Molecules       Date:  2022-10-07       Impact factor: 4.927
  3 in total

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