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

Optical Materials 2010
Mārtiņš Rutkis, Andrejs Tokmakovs, Edgars Jēčs, Valdis Kokars, Jana Kreicberga, Valdis Kampars

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.

Atslēgas vārdi
Binary chromophore organic glasses; Electro-optical materials; NLO efficiency; Polar order stability
DOI
10.1016/j.optmat.2010.01.006
Hipersaite
http://www.sciencedirect.com/science/article/pii/S0925346710000145

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

Publikācijas valoda
English (en)