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arXiv 2103.13786physics.chem-ph
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Stark control of a chiral fluoroethylene derivative

Daniel Kinzel, Philipp Marquetand, Leticia González

英文摘要:

Hydrogen dissociation is an unwanted competing pathway if a torsional motion around the C=C double bond in a chiral fluoroethylene derivative, namely (4-methylcyclohexylidene) fluoromethane (4MCF), is to be achieved. We show that the excited state H-dissociation can be drastically diminished on timescales long enough to initiate a torsion around the C=C double bond using the non-resonant dynamic Stark effect. Potential energy curves, dipoles and polarizabilities for the regarded one-dimensional reaction coordinate are calculated within the CASSCF method. The influence of the excitation and the laser control field is then simulated using wavepacket dynamics.

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