Communication: Imaging the indirect dissociation dynamics of temporary negative ion: N2O− → N2 + O−

Abstract

We reported an imaging study of the dissociation dynamics of temporary negative ion N(2)O(-) formed in the low-energy electron attachment, e(-) + N(2)O → N(2)O(-) → N(2) + O(-). With the help of ab initio molecular dynamics calculations, the evolution of momentum distributions of the O(-) fragment in terms of the electron attachment energy is identified as the result of a competition between two distinctly different indirect pathways, namely, climbing over and bypassing the energy ridge after the molecular structure bending. These two pathways prefer leaving the N(2) fragment at the high vibrational and rotational states, respectively.

Communication: State mixing by spin-orbit coupling in the anionic chloroiodine dissociations

“…12,13,17 The sliced images of I − are depicted in Figs 10 and the polarized molecular local bond 16 would indeed introduce a forward-backward asymmetry of the angular distribution, but they cannot be responsible for the present imagepattern evolution with the electron energy. Since the angular distributions are primarily relevant to the symmetries of the resonant states in the Franck-Condon region, 8,10,[12][13][14][15][16] all of these images should presumably show the typical up-anddown ( 2 state) or backward-forward ( 2 state) distributions.…”

“…The state-of-the-art VMI technique enables us to identify different anionic fragments of the DEA process and record the angular distribution of a specific fragment in the full range θ = 0 = 2π . [12][13][14][15][16] In the Franck-Condon region of the vertical electron attachment, various resonant states of ICl − are accessible. The potential energy curves of both the neutral ICl at the ground state and the anion ICl − at the low-lying resonances were recalculated with the internally contracted multi-reference CI method including the SO coupling.…”

“…(1) has been successfully applied. [13][14][15][16] Since the SO coupling was not considered in Eq. (1), here is replaced with .…”

Dissociative electron attachments to ethanol and acetaldehyde: A combined experimental and simulation study

“…Supposing the non-adiabatic transition between the different resonant states (e.g., π * → σ * ) 7,21 was very fast, the following dynamic evolutions eventually occurred at the lowest resonant state of the TNI and led to the groundstate fragments. 22 Here, different initial energies would be transferred to the internal modes of the TNI at the σ * resonant state (ethanol) or the π * resonant state (acetaldehyde). The time step was 0.1 or 0.2 (fs) and the time scale of simulations was about 2 ps.…”

Ab Initio Molecular Dynamics Simulation Study of Dissociative Electron Attachment to Dialanine Conformers

“…and electron attachment7,15 can be mimicked well by ab initio molecular dynamics simulations. In this work, ab initio molecular dynamics simulations are performed to elucidate the…”