Excited state molecular polarizability estimated by solvatochromic means

Abstract

Abstract. There are few methods for determining the electro-optical parameters in excited molecular states. Between them, the solvent influence on the electronic (absorption or fluorescence) spectra of organic molecules offer the possibility to estimate the excited state dipole moment and/or polarizability by multiple linear regression between the spectral shifts and solvent macroscopic parameters. A comparative study of the polarizability values determined by spectral means for some benzene derivatives in excited states is made in this paper.

Exciplex Stabilization in Asymmetric Acene Dimers

“…If so, why is the per-carbon binding energy so similar to the one obtained for (BN)*, where moderate exciplex stabilization is present? The larger size of the BA compared to BN suggests enhanced noncovalent interactions regardless of electronic state, and electronic excitation can increase the polarizability of aromatics . Thus, the excitation of the anthracene monomer may increase the interaction strength even without notable exciton delocalization.…”

“…The larger size of the BA compared to BN suggests enhanced noncovalent interactions regardless of electronic state, and electronic excitation can increase the polarizability of aromatics. 77 Thus, the excitation of the anthracene monomer may increase the interaction strength even without notable exciton delocalization. The fact that the excitation is largely localized on the anthracene monomer likely also explains why the performance of the LC-BLYP-TM and LC-BLYP-TD functionals was so similar for (BA) * ; the electronic state of the benzene molecule remains nearly unchanged, so including it in the structure used for tuning does not significantly improve the description of the excited complex.…”