PLATINUM ACETYLIDES IN CHOLESTERIC LIQUID CRYSTAL GLASSES FOR NLO APPLICATIONS
Abstract
A team of researchers under the leadership of Dr. Thomas Cooper at the Air Force Research Laboratory (AFRL), Wright–Patterson Air Force Base, in Dayton, OH, USA, has synthesized (Cholesteryl)benzoate-ethylene oligomers with a varying number of repeat units. Characterization data are 1 consistent with a disordered Smectic A phase for the trimer and pentamer and a nematic phase for the heptameter and polymer. In the present work, we will employ state of the art non-biased force field molecular dynamics simulations to address the supramolecular assembly of the platinum-acetylide chromophores to improve on the understanding of the microscopic solid-state material organization. We will furthermore provide first-principles simulations of photophysical spectroscopic properties and reveal the dependence of spectral characteristics on the underlying molecular structure organization. Glass materials with 100% chromophore concentration can be produced, which has the potential to lead to unprecedented nonlinear optical molecular materials in the solid state with a flexibility in terms of chemical ligand alterations.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 11, 2021
- Source ID
- FA86552017010
Entities
People
- Patrick Norman
Organizations
- Air Force Office of Scientific Research
- Royal Institute of Technology
- United States Air Force