Structural and quantum chemical analysis of exciton coupling in homo-and heteroaggregate stacks of merocyanines

D Bialas, A Zitzler-Kunkel, E Kirchner, D Schmidt… - Nature …, 2016 - nature.com
Exciton coupling is of fundamental importance and determines functional properties of
organic dyes in (opto-) electronic and photovoltaic devices. Here we show that strong …

Essential states model for merocyanine dye stacks: bridging electronic and optical absorption properties

D Bialas, C Zhong, F Wurthner… - The Journal of Physical …, 2019 - ACS Publications
An extension of the essential states model is developed to investigate the absorption and
electronic properties of a highly dipolar merocyanine dye and double and quadruple π …

Exciton Effects in the Dimer and Higher Aggregates of a Simple Merocyanine Dye. A CS INDO CI Based Theoretical Study

P Millié, F Momicchioli, D Vanossi - The Journal of Physical …, 2000 - ACS Publications
A simple streptomerocyanine with five methine carbons (Mc) has been used as a suitable
model system to investigate theoretically the optical properties in organized assemblies of …

Exciton coupling of merocyanine dyes from H-to J-type in the solid state by crystal engineering

A Liess, A Lv, A Arjona-Esteban, D Bialas… - Nano …, 2017 - ACS Publications
A key issue for the application of π-conjugated organic molecules as thin film solid-state
materials is the packing structure, which drastically affects optical and electronic properties …

Folding-induced exciton coupling in homo-and heterodimers of merocyanine dyes

D Bialas, E Kirchner, F Würthner - Chemical Communications, 2016 - pubs.rsc.org
Two identical or different merocyanine dyes were tethered by a rigid diphenylacetylene
spacer unit that enables the folding of the two dyes into co-facially π-stacked structures in …

Switching resonance character within merocyanine stacks and its impact on excited-state dynamics

T Kim, S Kang, E Kirchner, D Bialas, W Kim, F Würthner… - Chem, 2021 - cell.com
In this study, the optical properties and excited-state dynamics of the unique self-assembled
donor-acceptor (DA) merocyanine dye stacks from dimer up to octamer, prepared via dipole …

Exciton and charge-transfer interactions in nonconjugated merocyanine dye dimers: novel solvatochromic behavior for tethered bichromophores and excimers

L Lu, RJ Lachicotte, TL Penner, J Perlstein… - Journal of the …, 1999 - ACS Publications
A series of merocyanine dye dimers tethered at different sites with spacers ranging from 0 to
5 methylene groups and the corresponding monomer have been synthesized. The …

Defined merocyanine dye stacks from a dimer up to an octamer by spacer-encoded self-assembly approach

E Kirchner, D Bialas, F Fennel, M Grüne… - Journal of the …, 2019 - ACS Publications
A series of well-defined chromophore stacks is obtained upon self-assembly of merocyanine
and bis (merocyanine) dyes in nonpolar solvents. Careful design of the spacer moieties …

Unusual Non-Kasha Photophysical Behavior of Aggregates of Push–Pull Donor–Acceptor Chromophores

C Zhong, D Bialas, FC Spano - The Journal of Physical Chemistry …, 2020 - ACS Publications
Unlike the Frenkel exciton model, the essential state model (ESM) for aggregates of donor–
acceptor (DA) chromophores accounts self-consistently for the effect of the reaction field on …

[引用][C] Quantum chemical investigation of exciton coupling: super‐molecular calculations of a merocyanine dimer aggregate

L Goerigk, S Grimme - ChemPhysChem, 2008 - Wiley Online Library
Exciton coupling is caused by interaction through space between the electric transition
dipole moments in different chromophores. This phenomenon is particularly well observed …