Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy.
Two-dimensional (2D) vibronic correlation spectra of molecular dimers are calculated, taking a single vibration in each monomer into account. Within the employed wave function approach, the coupling to a surrounding is included only phenomenologically. It is shown that this offers a straightforward understanding of the spectra. The influence of the relative orientation of the monomer transition dipole moments and the electronic coupling strength is investigated. Employing a model for perylene bisimide, we predict the 2D-vibronic spectra for the monomer and dimer configurations.
Institut für Physikalische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
Joachim
J
Seibt
Klaus
K
Renziehausen
Dmitri V
DV
Voronine
Volker
V
Engel