Abstract
The unexpected higher intensity at low momentum region for HOMO of W(CO) 6 was investigated using electron momentum spectroscopy at various impact energies, as well as non-relativistic, scalar relativistic and spin–orbit relativistic DFT-B3LYP calculations. There was no evident difference between the experimental momentum profiles at various impact energies. It was found that the low frequency vibration of W(CO) 6 can evidently change the momentum profile. The semi-quantitative vibrational averaged calculations agreed well with the experimental results. Therefore, it was suggested that the unexpected higher intensity at low momentum regions was possibly due to the vibration effects.
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