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Publikācija: Indanedione Based Binary Chromophore Supramolecular Systems as a NLO Active Polymer Composites

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Publikācijas valoda English (en)
Nosaukums oriģinālvalodā Indanedione Based Binary Chromophore Supramolecular Systems as a NLO Active Polymer Composites
Pētniecības nozare 1. Dabaszinātnes
Pētniecības apakšnozare 1.4. Ķīmija
Autori Mārtiņš Rutkis
Andrejs Tokmakovs
Edgars Jēčs
Valdis Kokars
Jana Kreicberga
Valdis Kampars
Atslēgas vārdi Binary chromophore organic glasses; Electro-optical materials; NLO efficiency; Polar order stability
Anotācija Novel route to obtain EO material is proposed by supramolecular assembly of neutral-ground-state (NGS) and zwitterionic (ZWI) NLO chromophores in binary chromophore organic glass (BCOG) host-guest system. On a basis of our Langeven Dynamics (LD) molecular modeling combined with quantum chemical calculations, we have shown that anticipated enhancement NLO efficiency of BCOG material is possible via electrostatic supramolecular assembly of NGS with ZWI chromophore in antiparallel manner. Binding energy of such complex could be more dependent on molecular compatibility of components and local (atomic) charge distribution, then overall molecular dipole moments. According to our LD simulations these supramolecular bind structures of NGS and ZWI chromophores can sustain thermally assisted electrical field poling. For the one of experimentally investigated systems, build from dimethylaminobenzylidene 1,3-indanedione containing host and zwitterionic indanedione-1,3 pyridinium betaine as a guest, almost twofold enhancement of NLO efficiency was observed.
DOI: 10.1016/j.optmat.2010.01.006
Hipersaite: http://www.sciencedirect.com/science/article/pii/S0925346710000145 
Atsauce Rutkis, M., Tokmakovs, A., Jēčs, E., Kokars, V., Kreicberga, J., Kampars, V. Indanedione Based Binary Chromophore Supramolecular Systems as a NLO Active Polymer Composites . Optical Materials, 2010, Vol.32. Iss.8, 796.-802.lpp. ISSN 0925-3467. Pieejams: doi:10.1016/j.optmat.2010.01.006
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ID 9099