ultrafast charge transfer visualized by two-dimensional electronic spectroscopy
;Mančal T.;Milota F.;Hauer J.;Christensson N.;Bixner O.;Lukeš V.;Kauffmann H. F.
utilitas mathematica2013Vol. 41pp. 08019-
108
t.2013epjultrafast
Abstract
Two-dimensional electronic spectroscopy (2D-ES) is used to investigate ultrafast excited-state dynamics in a lutetium bisphthalocyanine dimer. Following optical excitation, a chain of electron and hole transfer steps gives rise to characteristic cross-peak dynamics in the electronic 2D spectra. The combination of density matrix propagation and quantum chemical calculations results in a molecular view of the charge transfer dynamics and highlights the role of the counter-ion in providing an energetic perturbation which promotes charge transfer across the complex.