Abstract
The study reported herein is focused on measuring, as well as on modeling numerically, the positions and intensities of the absorption bands in the electronic spectrum of benzene ring-based mono-azo dyes, while preserving their potential mesogenic ability. Both non-polar structures, as well as highly polar push-pull structures, of azo dye molecules were designed and studied.
Acknowledgments
This work was supported by the contract W911QY-07-C-0032. The authors gratefully acknowledge the DoD high performance computer ASC/MSRC resources to accomplish this work.
Notes
*{ } – Phase transition is monotropic.
Note: Predicted oscillator strengths for a transition are provided in parenthesis following the transition wavelength.