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MO: Fachverband Molekülphysik

MO 1: Chirality

MO 1.7: Vortrag

Montag, 10. März 2025, 12:45–13:00, HS XVI

Models for Predicting Parity Violating Energy Differences in Chiral Molecules — •Namrata Gohain and Robert Berger — Philipps-Universität Marburg, Hans-Meerwein-Straße 4, 35032 Marburg

The weak interaction, unlike the other fundamental forces, violates parity and renders all atoms to be inherently chiral. However, this effect becomes more pronounced in chiral molecules, leading to a tiny parity violating energy difference[1,2]. As attempts are being made to quantify the influence of parity violation in such molecules experimentally, one can also attempt to develop simplified models that predicts the energy difference between two enantiomers without explicit calculations. This can be advantageous for finding potential candidates that aids the development of high resolution spectroscopic techniques which can detect the parity violation in molecules[3]. In this contribution we will present one such model by focusing on different unsaturated chiral compounds as our candidates.

[1] M. Quack, Angew. Chem. Int. Ed. Engl.(1989), 28, 571-586.

[2] R. Berger and J. Stohner, WIREs Comput Mol Sci. (2019), 9, e1396.

[3] M. Quack, G. Seyfang and G. Wichmann, Chem. Sci. (2022), 13, 10598-10643

Keywords: Chirality; Parity-violation; Relativistic-electronic-structure-theory; Quasi-relativistic-approaches