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Identifying the Multielectron Effect on Chemical Bond Rearrangement of CH3Cl Molecules in Strong Laser Fields.

Sizuo LuoShushan ZhouWenhui HuJiaqi YuXiaokai LiPan MaLanhai HeChuncheng WangFuming GuoYujun YangDajun Ding
Published in: The journal of physical chemistry. A (2018)
Strong field double ionization that triggers the chemical bond rearrangement of CH3Cl is investigated by impulsive control of the alignment of molecules. The alignment and laser intensity dependent H2+ and H3+ yields in linearly polarized femtosecond laser have been measured, and the obtained data show that the maximum signal of H2+ appears at the laser polarization parallel to the C-Cl axis of molecules and H3+ species are more likely to eject at the laser polarization parallel to the C-Cl axis at low laser intensity while the H3+ signal peaks at laser polarization perpendicular to the C-Cl axis at high laser intensity. The measurements indicate that electrons from HOMO - 1 and HOMO - 2 orbitals have been ionized for the generation of bond rearrangement at different laser intensity. Our results demonstrate the importance of multielectron effects and also provide an effective control method in the process of chemical bond rearrangement of the molecules in strong laser fields.
Keyphrases
  • high speed
  • high intensity
  • big data
  • atomic force microscopy
  • molecular dynamics
  • artificial intelligence
  • density functional theory
  • gas chromatography