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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 15: Poster Session I
CPP 15.11: Poster
Montag, 17. März 2025, 19:00–21:00, P4
Structural influences on nonlinear optical activity for supercontinum generation: isolated cubane — •Alexander Kapp and Simone Sanna — Institute for Theoretical Physics, 35392 Gießen, Germany
It has been suggested that adamantane-based molecular clusters can convert a narrowband laser source into a broadband supercontinuum. Unlike thermal emitters, the resulting spectra are coherent and not constrained by Planck’s law, making them highly valuable for various applications, such as high-resolution monitoring and spectroscopy.
In order to expand our library of suitable molecules, we investigate the electronic and optical properties of materials with similar symmetry. This involves performing first-principle density functional theory calculations to identify appropriate structures. Here, we focus specifically on isolated cubane (C8H8) molecules and their derivatives, analyzing their electronic and structural properties and their correlation with the optical response.
Keywords: supercontinuum; cubane; adamantane; ab initio; density functional theory