Determining the three-dimensional electronic transition dipole moment orientation: Influence of an isomeric mixture

Martin Linke, Moritz Theisen, Theodore von Haimberger, Mohamed Madjet, Angelica Zacarias, Henk Fidder, Karsten Heyne

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A new mixed experimental and theoretical approach for determining the exact three-dimensional orientation of electronic transition dipole moments (tdms) within the molecular frame is discussed. Results of applying this method on Chlorophyll a and the dye Coumarin 314 (C314) are presented. For C314 the possible influence of a mixture of E- and Z-isomers in the sample on the determined electronic tdm is investigated. Moreover, the robustness of the method is investigated with the C314 data.

Original languageEnglish
Pages (from-to)1283-1288
Number of pages6
JournalChemPhysChem
Volume11
Issue number6
DOIs
Publication statusPublished - 26 Apr 2010
Externally publishedYes

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Keywords

  • Chlorophyll
  • Density functional calculations
  • Dipole moments
  • Isomers
  • Laser spectroscopy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics

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