Relativistic and vibrational effects on the electronic structure of isopropyl iodide

Abstract

Relativistic and vibrational effects on the electronic wavefunctions of molecular isopropyl iodide are investigated, using the electron momentum spectroscopy measurements in combination with theoretical calculations. The branching ratio of the electron-impact ionization between the outmost molecular orbitals 5a'' and 8a' shows a remarkable spin–orbit coupling relativistic effect. Both the relativistic and vibrational effects are found in the low momentum region of the electron momentum profile of 7a' orbital, while the momentum profiles of 6a', 4a'', 3a'' and 2a'' orbitals only indicate the vibrational effect. For the inner valence orbitals, the relativistic effects on the momentum profiles of 3a' and 2a' are observed while the vibrational effects are absent. But for 1a'' and 1a' orbitals neither the relativistic nor vibrational effects appear.