Quick Shot

Computational Chemistry Modeling

December 21, 2015
Emily Sekera and Ken Marshall

Emily Sekera (B.S. Chemistry, RIT 2015) and Ken Marshall (Acting Group Leader, Optical Materials Technology) are shown in front of a computationally generated molecular model of an azobenzene photoswitchable alignment material being investigated for use in an optically addressable liquid crystal (LC) beam shaper. Photoisomerization of the azobenzene pendants on the alignment coating redirects the orientation of the LC material and switches the device between two optical transmission states without compromising its near-IR laser-damage threshold. Computational chemistry modeling, based on density functional theory, is being employed to study the impact of molecular structure on optical-switching properties in photoswitchable-alignment materials. Test materials include methacrylate and acrylamide polymer backbones, which have been functionalized with azobenzene and spiropyran pendants.