Pressure- and Aggregation-Induced Modulation of Linear and Nonlinear Optical Properties in a Push-Pull Chromophore: Insights from Computational Modelling | Synapse
February 8, 2026Physical Chemistry Chemical Physics0 citations
Pressure- and Aggregation-Induced Modulation of Linear and Nonlinear Optical Properties in a Push-Pull Chromophore: Insights from Computational Modelling
The research aims to explore how pressure and aggregation affect the optical properties of a specific chromophore in a molecular crystal.
Conducted theoretical modelling of the push-pull chromophore under varying isotropic pressure conditions.
Analyzed both linear and nonlinear optical responses among different pressure levels.
Utilized computational techniques to simulate structural changes within the molecular crystal.
Demonstrated that increasing isotropic pressure significantly alters both linear and nonlinear optical properties.
Found distinct changes in optical behavior linked to the structural modifications of the chromophore.
Revealed insights into the aggregation effects on the chromophore's optical responses.
Abstract
We report a theoretical investigation of the structural and optical responses of a molecular crystal based on a push-pull chromophore subjected to increasing isotropic pressure ranging from 1 to 30...