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Experimental and theoretical study of valence electronic structure of tetrabromomethane by (e, 2e) electron momentum spectroscopy

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Wang,  Enliang
Division Prof. Dr. Thomas Pfeifer, MPI for Nuclear Physics, Max Planck Society;

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Ren,  Xueguang
Division Prof. Dr. Thomas Pfeifer, MPI for Nuclear Physics, Max Planck Society;

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Citation

Xu, Z., Hu, P., Wang, E., Xu, S., Wang, X., Zhao, Y., et al. (2019). Experimental and theoretical study of valence electronic structure of tetrabromomethane by (e, 2e) electron momentum spectroscopy. Physical Review A, 99(6): 062705. doi:10.1103/PhysRevA.99.062705.


Cite as: https://hdl.handle.net/21.11116/0000-0005-4D9C-6
Abstract
We report a measurement of the valence orbital momentum profiles of tetrabromomethane (CBr4) using symmetric noncoplanar (e, 2e) experiments at the impact energies of about 600 and 1200 eV. The experimental momentum profiles for the individual orbitals 5t(1), 13t(2), 5e, 12t(2), and 9a(1) and the branching ratio of 5t(1) to 13t(2) and 5e to 13t(2) are obtained and compared with two kinds of calculations under the plane-wave impulse approximation. One is theoretical momentum profiles that have been calculated at the equilibrium geometry, the other is those that involve vibrational effects using a thermal sampling molecular dynamics method. The calculations considering molecular vibrations are in better agreement with experiment than the equilibrium geometry calculations, indicating the important role of nuclear motions on the valence orbital electronic structures of CBr4. The distorted-wave effects are observed in the experimental momentum profiles of 5t(1), 5e, and 12t(2) which display dynamic dependencies on the impact energies. A multicenter interference or bond oscillation effect has been observed from the momentum profile ratios of 5t(1) to 13t(2) and 5e to 13t(2) which has direct information about the bond length of a molecule.