Relationship between interference pattern and molecular orbital shape in (e, 2e) electron momentum profiles of SF6

Dynamic effects in electron momentum spectroscopy of sulfur hexafluoride

“…However, the agreements between the experimental data and PWIA for 2400 eV are not as good as is seen for the case of the 1t 2u +5t 1u orbitals. The influence of molecular vibration is a possible source of the observed disagreement for low momenta which has been analyzed by Watanabe et al [15]. It was found that for the 1t 1g orbital the vibrational effects calculation predicts higher intensity than the equilibrium geometry calculation for low momenta which reduced the deviation (∼50%) from the experimental result.…”

“…Recently, the Hefei EMS group [14] and Sendai EMS group [15] have performed experiments on sulfur hexafluoride (SF 6 ) at the impact-energy of ∼1200 eV to study the interference effect or bond oscillation for the five outermost molecular orbitals of SF 6 , which are each constructed from the 2p atomic orbital of the F atoms. The experimental momentum distributions show higher intensity at the low momentum region than predicted by the PWIA calculations.…”

“…This increased low momentum intensity has been labeled the 'turn-up' effect in EMS [5,7,9]. Even considering the vibrational effects, the 'turn-up' effect has not been satisfactorily explained [15]. An open question then is whether this observed effect can be explained by distortions of the continuum wavefunctions which has not yet been investigated.…”

Influence of molecular vibrations on the valence electron momentum distributions of adamantane

“…[25][26][27][28] Because of its unique ability to image individual electron orbitals in momentum space, EMS can provide a powerful means to investigate how molecular orbital patterns are affected by the vibrational motions of molecules. Indeed, recent EMS studies on various polyatomic molecules [29][30][31][32][33][34][35][36][37][38] have shown that electron momentum profiles may considerably be affected by molecular vibrations, and that EMS experiments in conjunction with recently developed theoretical approaches are capable of disentangling the interplay between the electronic and nuclear dynamics. 30,31,[34][35][36][37][38] It is therefore of interest to apply the EMS technique to the study of the nuclear dynamics effects for diamondoids.…”

Imaging molecular geometry with electron momentum spectroscopy

“…In the EMS experiments, the interference effect was first discussed in the 1980 s17 and clearly observed only recently in the experiments of CF 4 37, H 2 3839, and SF 6 4041. Direct observation of the interference pattern in electron momentum distribution is usually very difficult due to the weak modulation on the rapidly decreasing intensity at large momentum.…”