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Publikācija: Novel Azobenzene Precursors for NLO Active Polyuretanes: Sythesis

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Nosaukums oriģinālvalodā Novel Azobenzene Precursors for NLO Active Polyuretanes: Sythesis, Quantum Chemical and Experimental Characterisation
Pētniecības nozare 1. Dabaszinātnes
Pētniecības apakšnozare 1.4. Ķīmija
Autori Edgars Jēčs
Jana Kreicberga
Valdis Kampars
Mārtiņš Rutkis
Andrejs Jurģis
Atslēgas vārdi Azo compound; EO polymer; Guest-host polymers; NLO efficiency; Second harmonic generation
Anotācija For the development of electro optical active polyurethanes six new derivatives of 2-{(2-hydroxyethyl)-[4-(4-nitrophenylazo)phenyl]amino}ethanol and two of 2-{(2-hydroxyethyl)-[4-(5-nitropyridin-2-ylazo)phenyl]amino}ethanol were synthesized by azocoupling reaction. Molecular geometry, hyperpolarizability βFF and ground state dipole moment μg were acquired by RHF ab initio (6-31G**) calculations using HyperChem software package. To characterize NLO performance of synthesized azo compounds second order non linear coefficients d31 and d33 were measured as function of chromophore load in guest-host films (PMMA). Eight synthesized compounds can be grouped in four similar gross formula pairs (different position of octyloxy group) with almost equal μg βFF product and different μg values. At low chromophore concentrations higher dipole moment compounds perform better. Lower dipole moment compounds have better NLO efficiency at high chromophore loads. Accurate ranking of all chromophores, based on two-level model corrected zero frequency d33(0) values, was not viable due to overestimation of the dispersion factor.
DOI: 10.1016/j.optmat.2009.03.010
Hipersaite: http://www.sciencedirect.com/science/article/pii/S0925346709000767 
Atsauce Jēčs, E., Kreicberga, J., Kampars, V., Rutkis, M., Jurģis, A. Novel Azobenzene Precursors for NLO Active Polyuretanes: Sythesis, Quantum Chemical and Experimental Characterisation. Optical Materials, 2009, Vol.31, No.11, 1600.-1607.lpp. ISSN 0925-3467. Pieejams: doi:10.1016/j.optmat.2009.03.010
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