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Ultrashort pulses can excite or ionize molecules and populate coherentelectronic wavepackets, inducing complex dynamics. In this work, we simulatethe coupled electron-nuclear dynamics upon ionization to different electronicwavepackets of (deuterated) benzene and fluoro-benzene molecules, quantummechanically and in full dimensionality. In fluoro-benzene, the calculationsunravel both inter-state and intra-state quantum interferences that leave clearsignatures of attochemistry and charge-directed reactivity in the shape of theautocorrelation function. The latter are in agreement with experimental highharmonic spectroscopy measurements of benzenes and fluoro-benzene.

Signature of attochemical quantum interference upon ionization and excitation of an electronic wavepacket in fluoro-benzene