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Area of Science:

  • Chemical Physics
  • Molecular Dynamics
  • Photochemistry

Background:

  • Ammonia photodissociation is a key process in atmospheric chemistry.
  • Nonadiabatic effects play a crucial role in molecular dynamics following light absorption.

Purpose of the Study:

  • To investigate the influence of external laser fields on ammonia photodissociation dynamics.
  • To explore the formation and impact of light-induced conical intersections (LICIs).

Main Methods:

  • Simulated nonadiabatic molecular dynamics using an approximate Floquet Hamiltonian.
  • Employed quasiclassical trajectories with diabatic potential energy matrices (DPEM) and dipole matrices.
  • Analyzed the effects of laser-dipole interaction on potential energy surfaces.

Main Results:

  • External laser fields induce seams of light-induced conical intersection (LICI).
  • LICIs significantly alter the topography of coupled potential energy surfaces.
  • The branching ratio of ground and excited state NH2 is drastically changed by laser-dipole interaction.

Conclusions:

  • Laser-dipole interaction is a significant factor in ammonia photodissociation.
  • Nonadiabatic effects induced by light play a critical role in determining product distributions.
  • This study provides insights into light-driven molecular dynamics and control.