2010: Determining the Three-Dimensional Electronic Transition Dipole Moment Orientation: Influence of an Isomeric Mixture

Linke, M; Theisen, M; von Haimberger, T; Madjet, MEA; Zacarias, A; Fidder, H; Heyne, K

CHEMPHYSCHEM 2010, 11(6), p. 1283-1288;

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.

DOI 10.1002/cphc.200900888