When subjected to short, intense laser pulses, a substantial amount of vibrational energy can be deposited in a molecule. Such highly energized molecules can undergo rapid rearrangements and dissociation. The effect of a strong electric field on the motion of a molecule can be simulated by ab initio classical trajectory calculations in a time-varying field. The fragmentation patterns of randomly oriented CH3OH+ have been examined for intense laser pulses at 800 nm and 7 micron. For aligned molecules, the simulations show that intense laser field can selectively dissociate stronger bonds in CF3Br+ and C6H5I2+, and enhance the yield of higher energy HCl+ products in the fragmentation of formyl chloride cation, ClCHO+.

Response of molecules to strong laser fields simulated by ab initio molecular dynamics calculations

248th National Meeting (2014)

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