Solid state electronic structures of organic semiconductors based on 1,4-diphenylbutadienes and their 2,3-diaza derivatives

ORGN 618

Rainer Glaser, glaserr@missouri.edu and Yongqiang Sui, ysff9@mizzou.edu. Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211
Highly anisotropic and polar organic materials are interesting for optoelectronic applications because of the very fast response time of π-electrons. We are particularly interested in the development of materials with perfect polar order. Our developments are based on a rational design and involve the polar stacking of polar beloamphiphile monolayers (PBAMs). These materials achieve much higher chromophore densities as compared to poled polymers and the polar order causes further attenuation of the electrooptical response. We have achieved the fabrication of several near-perfectly and perfectly dipole parallel-aligned crystals with unsymmetrical acetophenone azines and also with unsymmetrical diphenyls. As part of the deep analysis of the materials and of the underlying concepts, we are studying beloamphiphiles based on 1,4-diphenylbutadiene (DPBD). The DPBD framework is particularly interesting as it occurs in polymorphs and might allow for polar PBAMs with controllable solid state architectures. Here we will focus on the comparison of the solid state ab initio electronic band structures of two polymorphs of 1,4-diphenylbutadiene and of related 2,3-diaza derivatives.
 

Materials, Devices, and Switches
8:00 AM-12:00 PM, Thursday, 30 March 2006 Georgia World Congress Center -- Georgia Ballroom 2, Oral

Division of Organic Chemistry

The 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006