Communication: Photoionization of degenerate orbitals for randomly oriented molecules: The effect of time-reversal symmetry on recoil-ion momentum angular distributions. Suzuki, Y. I. Journal of Chemical Physics, April, 2018. Publisher: American Institute of Physics Inc.doi abstract bibtex The photoelectron asymmetry parameter β, which characterizes the direction of electrons ejected from a randomly oriented molecular ensemble by linearly polarized light, is investigated for degenerate orbitals. We show that β is totally symmetric under the symmetry operation of the point group of a molecule, and it has mixed properties under time reversal. Therefore, all degenerate molecular orbitals, except for the case of degeneracy due to time reversal, have the same β (Wigner-Eckart theorem). The exceptions are e-type complex orbitals of the C n , S n , C nh , T, and T h point groups, and calculations on boric acid (C 3h symmetry) are performed as an example. However, including those point groups, all degenerate orbitals have the same β if those orbitals are real. We discuss the implications of this operator formalism for molecular alignment and photoelectron circular dichroism.
@article{suzuki_communication_2018,
title = {Communication: {Photoionization} of degenerate orbitals for randomly oriented molecules: {The} effect of time-reversal symmetry on recoil-ion momentum angular distributions},
volume = {148},
issn = {00219606},
doi = {10.1063/1.5026181},
abstract = {The photoelectron asymmetry parameter β, which characterizes the direction of electrons ejected from a randomly oriented molecular ensemble by linearly polarized light, is investigated for degenerate orbitals. We show that β is totally symmetric under the symmetry operation of the point group of a molecule, and it has mixed properties under time reversal. Therefore, all degenerate molecular orbitals, except for the case of degeneracy due to time reversal, have the same β (Wigner-Eckart theorem). The exceptions are e-type complex orbitals of the C n , S n , C nh , T, and T h point groups, and calculations on boric acid (C 3h symmetry) are performed as an example. However, including those point groups, all degenerate orbitals have the same β if those orbitals are real. We discuss the implications of this operator formalism for molecular alignment and photoelectron circular dichroism.},
number = {15},
urldate = {2020-01-21},
journal = {Journal of Chemical Physics},
author = {Suzuki, Yoshi Ichi},
month = apr,
year = {2018},
note = {Publisher: American Institute of Physics Inc.},
}
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