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Bonding in light-induced vortices: benzene in a high-frequency circular\n polarized laser

2019/11/16 by Prashant Raj, Raj, Prashant, Mishu Paul +7
Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Laser-Matter Interactions and Applications #Spectroscopy and Quantum Chemical Studies

paper · pdf · doi:10.48550/arxiv.1911.06976

openalex publication_date 2019/11/16 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

The electronic structure of benzene in the presence of a high-intensity\nhigh-frequency circularly polarized laser supports a middle-of-the-ring\nelectron localization. Here, the laser polarization coincides with the ring\nplane of benzene. The high-frequency oscillating electric field creates\ncircular currents centered at each atom with a circle radius equal to the\nmaximum field amplitude of the laser. All six carbons have six such rings. For\na maximum field amplitude of 1.42 AA, which is the carbon-carbon bond\ndistance, all six dynamic current circles intersect to create a deep vortex in\nthe middle, which supports a bound state of a pair of electrons. Such states\nfor benzene can be realized in experiments using a circularly polarized\nXUV-laser in a range of intensities 1016-1017 W/cm2 and frequencies 16 eV to\n22 eV. Electronic dynamics calculations predict a minimal ionization of benzene\nwhen the rise-time of the laser pulse is sudden, indicating a possible\nexperimental realization of these states characterized by a large cut-off in\nthe harmonic generation spectra. This stable electronic structure of the\nlight-dressed benzene is doubly-aromatic due to an extra aromaticity from a D6h\nsymmetric circular distortion of the\σ-framework while the\n\π-electrons, with low density in the ring-plane,are least affected.\n

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