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DY: Fachverband Dynamik und Statistische Physik
DY 37: Brownian Motion and Anomalous Diffusion
DY 37.9: Talk
Thursday, March 20, 2025, 17:00–17:15, H43
Diffusion and Homogeneous Linewidth – Phthalocyanine on Solid Rare-Gas Clusters — •Philipp Elsässer, Arne Morlok, Ulrich Bangert, Li Yilin, Felix Riedel, Lukas Bruder, Frank Stienkemeier, and Tanja Schilling — Institute of Physics, University of Freiburg, Hermann-Herder-Straße 3, 79104 Freiburg, Germany
Doped clusters are an important tool in the spectroscopy of organic molecules and the study of basic properties of confined quantum systems. It is crucial in these structures to understand the characteristics of the configurations between dopant and cluster. The binding sites may vary over time due to diffusion. Because of this, the diffusion behavior is valuable to characterize doped clusters.
We have studied the diffusion of free-base phthalocyanine (H2Pc) on solid, icosahedral, rare-gas clusters of argon and neon by molecular dynamics simulations. We observe on both systems that the spacial motion of H2Pc is confined on a single face of the icosahedron. The rotational movement of the molecule shows a cluster-size dependent anomalous-diffusive behavior on a picosecond timescale. This overall anomalous diffusion is in agreement with the homogeneous line width broadening observed in action-based two-dimensional electronic spectroscopy experiments.
Keywords: Phthalocyanine; Ultrafast structural dynamics; Molecular Dynamics; 2D Spectroscopy; Mean square angular displacement