Modeling solvent broadening on the vibronic spectra of a series of coumarin dyes. From implicit to explicit solvent models

J Cerezo, FJ Avila Ferrer, G Prampolini… - Journal of chemical …, 2015 - ACS Publications
We present a protocol to estimate the solvent-induced broadening of electronic spectra
based on a model that explicitly takes into account the environment embedding the solute …

Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling

T Giovannini, M Macchiagodena… - … Journal of Quantum …, 2019 - Wiley Online Library
We present a computational study on the spectroscopic properties of UV‐Vis absorbing dyes
in water solution. We model the solvation environment by using both continuum and discrete …

Asymmetrically bridged aroyl-S, N-ketene acetal-based multichromophores with aggregation-induced tunable emission

L Biesen, J Krenzer, N Nirmalananthan-Budau… - Chemical …, 2022 - pubs.rsc.org
Asymmetrically bridged aroyl-S, N-ketene acetals and aroyl-S, N-ketene acetal
multichromophores can be readily synthesized in consecutive three-, four-, or five …

DFT/TDDFT investigation on the UV-vis absorption and fluorescence properties of alizarin dye

A Amat, C Miliani, A Romani, S Fantacci - Physical Chemistry Chemical …, 2015 - pubs.rsc.org
The photophysical and photochemical properties of alizarin, a fluorescent organic red dye of
the family of the anthraquinones, have been theoretically investigated by focusing our …

One-pot synthesis of a white-light emissive bichromophore operated by aggregation-induced dual emission (AIDE) and partial energy transfer

M Denißen, R Hannen, D Itskalov, L Biesen… - Chemical …, 2020 - pubs.rsc.org
Merocyanine–triarylamine bichromophores are readily synthesized by sequentially Pd-
catalyzed insertion–alkynylation–Michael–Suzuki four-component reactions. White-light …

Communication of Bichromophore Emission upon Aggregation – Aroyl‐S,N‐ketene Acetals as Multifunctional Sensor Merocyanines

L Biesen, L May… - … A European Journal, 2021 - Wiley Online Library
Aroyl‐S, N‐ketene acetal‐based bichromophores can be readily synthesized in a
consecutive three‐component synthesis in good to excellent yields by condensation of aroyl …

Single molecule aggregation-induced dual and white-light emissive etherified aroyl-S, N-ketene acetals via one-pot synthesis

L Biesen, TJJ Müller - RSC advances, 2023 - pubs.rsc.org
Etherified aroyl-S, N-ketene acetals are readily synthesized by a novel one-pot addition–
elimination-Williamson-etherification sequence. Although the underlying chromophore …

Excitation dynamics in hetero‐bichromophoric calixarene systems

I Tosi, M Segado Centellas, E Campioli… - …, 2016 - Wiley Online Library
In this work, the dynamics of electronic energy transfer (EET) in bichromophoric donor–
acceptor systems, obtained by functionalizing a calix [4] arene scaffold with two dyes, was …

Ultrafast excitation energy transfer in a benzimidazole–naphthopyran donor–acceptor dyad

S Wang, M Bohnsack, S Megow, F Renth… - Physical Chemistry …, 2019 - pubs.rsc.org
The excited-state dynamics of a donor–acceptor dyad composed of 1-propyl-2-pyridinyl-
benzimidazole (PPBI) as donor and the photochromic molecular switch …

Diversity-Oriented Synthesis and Optical Properties of Bichromophoric Pyrrole-Fluorophore Conjugates

O Grotkopp, B Mayer, TJJ Müller - Frontiers in Chemistry, 2018 - frontiersin.org
The mild reaction conditions of the palladium-copper coupling-isomerization reaction open a
highly convergent, chromogenic route to blue emissive pyrroles in the sense of a …