Article ID Journal Published Year Pages File Type
11029578 Journal of Electron Spectroscopy and Related Phenomena 2018 33 Pages PDF
Abstract
Binding energy spectra and electron momentum profiles for the valence orbitals of propane have been measured at electron impact energy of 1.2 keV plus binding energy. The experimental electron momentum profiles (XMPs) are compared with the theoretical ones calculated for the relevant molecular orbitals using density functional theory. The calculation taking molecular vibration into account can well explain high intensity of the XMPs at low momentum region for 1a2 and 3b2 outer valence orbitals, showing a noticeable influence of the vibrational effect on orbital electron momentum profiles. For the inner valence orbitals, an attempt to reveal the interference effect or bond oscillation has been presented through the ratios of electron momentum profiles for the bonding and anti-bonding molecular orbitals. The observation of oscillation structures indicates the presence of interference effects.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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