Optical spectra in condensed phases: how the medium polarizability affects charge-transfer dyes
Chemical Physics
2020-08-21 v1 Materials Science
Abstract
When designing molecular functional materials, the properties of the active specie, the dye, must be optimized fully accounting for environmental effects. Here we present an effective model to account for the spectroscopic effects of the medium electronic polarizability on the properties of charge-transfer dyes. Different classes of molecules are considered and the proposed antiadiabatic approach to solvation is contrasted with the adiabatic approach, currently adopted in all quantum chemical approaches to solvation. Transition frequencies and band-shapes are addressed, and the role of the medium polarizability on symmetry-breaking phenomena is also discussed.
Keywords
Cite
@article{arxiv.2008.08543,
title = {Optical spectra in condensed phases: how the medium polarizability affects charge-transfer dyes},
author = {D. K. Andrea Phan Huu and Cristina Sissa and Francesca Terenziani and Anna Painelli},
journal= {arXiv preprint arXiv:2008.08543},
year = {2020}
}