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Related Experiment Videos

High harmonic generation from axial chiral molecules.

Dian Wang, Xiaosong Zhu, Xi Liu

    Optics Express
    |October 19, 2017
    PubMed
    Summary

    High harmonic generation from axial chiral molecules reveals distinct circular dichroism, offering insights into molecular chirality and laser-matter interactions. This effect persists even with 1D orientation, aiding in chiral recognition.

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    Area of Science:

    • Physical Chemistry
    • Quantum Optics
    • Molecular Spectroscopy

    Background:

    • Axial chiral molecules, distinguished by an axis of chirality, are crucial in asymmetric synthesis and chirality transfer.
    • Understanding their interaction with intense laser fields is key to developing advanced spectroscopic techniques.

    Purpose of the Study:

    • To investigate high harmonic generation (HHG) in axial chiral molecules using bichromatic counterrotating circularly polarized laser fields.
    • To explore the influence of molecular orientation on the circular dichroism (CD) of HHG spectra.

    Main Methods:

    • Simulations using time-dependent density-functional theory (TD-DFT) and the strong field approximation (SFA).
    • Analysis of HHG spectra for oriented and unoriented axial chiral molecules and achiral molecules.

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  • Trajectory analysis based on the semiclassical three-step mechanism.

    • Main Results:

    • Axial chiral molecules exhibit significant circular dichroism in their HHG spectra when 3D oriented.
    • The circular dichroism is notably weaker for achiral molecules under identical conditions.
    • Circular dichroism persists in HHG spectra of 1D-oriented axial chiral molecules, though it diminishes for specific structures like (Ra)-2,3-pentadiene.

    Conclusions:

    • HHG serves as a sensitive probe for detecting axial chirality and its orientation.
    • The observed circular dichroism in HHG is well-explained by semiclassical trajectory analysis.
    • This study highlights the potential of HHG spectroscopy for chiral recognition and probing molecular structure.