Mainz 2026 – scientific programme

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MO: Fachverband Molekülphysik

MO 23: Contributions to SYLC I

MO 23.6: Talk

Thursday, March 5, 2026, 12:30–12:45, P 110

Ultra-fast nonlinear optical response of chiral molecules with a focus on conformer sensitivity — •Elena Aethra Christou^1,3, David Ayuso², Felipe Morales¹, and Olga Smirnova^1,3 — ¹Max Born Institute, Berlin, 12489, Germany — ²Imperial College London, SW7 2AZ,UK — ³Technische Universität Berlin, 10623, Germany

We model the ultrafast nonlinear response of chiral molecules using TDDFT and temporally and spatially confined, CEP-controlled linearly polarized pulses. Focusing generates a longitudinal field component that produces forward elliptically polarized light, which in turn drives a chiral response orthogonal to the propagation plane, leading to even-harmonic emission. Interference between achiral odd and chiral even harmonics, shaped by the CEP, yields enantio-sensitive optical rotation. Building on previous work demonstrating this, we extend this approach to investigate the interplay between electronic dynamics and molecular conformations. We apply this mechanism to the three most abundant conformers of the chiral amino acid serine, which have reported gas-phase populations of 43.7%, 18.8%, and 14.8%. Their distinct polarization signatures are quantified through molecular QR codes that encode conformer-dependent chiral dynamics. These differences reveal a clear conformer-specific chiral response. The approach demonstrates the potential of CEP-controlled fields for conformer-resolved chiral spectroscopy in the near-infrared regime.

Keywords: Ultrafast nonlinear chiral response; Conformer-specific chiral resolution; CEP-controlled high-harmonic generation