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.
Highlights
Charge transfer (CT) is integral to a diversity of chemical reactions and bioenergetic pathways [1]
In this work we study the combined influence of CT- and resonancecoupling in a metal bridged bisphthalocyanine dimer ([LuPc2]), and investigate how it modulates the electronic structure and excited state dynamics
In the neutral form, the single transition in the linear absorption spectrum can be understood as a transition to the upper state in an H-type dimer formed by resonance coupling between the locally excited (LE) on each of the rings
Summary
Charge transfer (CT) is integral to a diversity of chemical reactions and bioenergetic pathways [1]. Two-dimensional electronic spectroscopy (2D-ES) is used to investigate ultrafast excited-state dynamics in a lutetium bisphthalocyanine dimer. A chain of electron and hole transfer steps gives rise to characteristic cross-peak dynamics in the electronic 2D spectra.
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