The search result changed since you submitted your search request. Documents might be displayed in a different sort order.
  • search hit 2 of 15
Back to Result List

Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates

  • The simulation of the optical properties of supramolecular aggregates requires the development of methods, which are able to treat a large number of coupled chromophores interacting with the environment. Since it is currently not possible to treat large systems by quantum chemistry, the Frenkel exciton model is a valuable alternative. In this work we show how the Frenkel exciton model can be extended in order to explain the excitonic spectra of a specific double-walled tubular dye aggregate explicitly taking into account dispersive energy shifts of ground and excited states due to van der Waals interaction with all surrounding molecules. The experimentally observed splitting is well explained by the site-dependent energy shift of molecules placed at the inner or outer side of the double-walled tube, respectively. Therefore we can conclude that inclusion of the site-dependent dispersive effect in the theoretical description of optical properties of nanoscaled dye aggregates is mandatory.

Export metadata

Additional Services

Search Google Scholar Statistics
Metadaten
Author details:Jörg MegowGND, Merle I. S. Röhr, Marcel Schmidt am Busch, Thomas Renger, Roland Mitrić, Stefan Kirstein, Jürgen P. Rabe, Volkhard May
DOI:https://doi.org/10.1039/c4cp05945j
ISSN:1463-9084
ISSN:1463-9076
Title of parent work (English):Physical chemistry, chemical physics : PCCP ; a journal of European chemical societies
Publisher:Royal Society of Chemistry
Place of publishing:Cambridge
Publication type:Article
Language:English
Date of first publication:2015/01/15
Publication year:2015
Publishing institution:Universität Potsdam
Release date:2015/08/11
Volume:17
Issue:10
First page:6741
Last Page:6747
Source:Phys. Chem. Chem. Phys., 2015, 17, 6741-6747 - DOI: 10.1039/C4CP05945J
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
DDC classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Peer review:Referiert
Publishing method:Open Access
Grantor:RSC
License (English):License LogoCreative Commons - Namensnennung-Weitergabe zu gleichen Bedingungen 3.0 Unported
External remark:Zweitveröffentlichung in der Schriftenreihe Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe ; 191
Accept ✔
This website uses technically necessary session cookies. By continuing to use the website, you agree to this. You can find our privacy policy here.