Molecular Structure Information From X-Ray Photoelectron Spectroscopy



A discussion is given of the types of molecular structure information available from X-ray photoelectron spectroscopy. A complete set of atomic charges in a molecule can be deduced from core-level binding energy shifts. Atomic-orbital composition of molecular orbitals is derived from relative intensities. Correlation peaks yield information about electron correlation. Relaxation energies are related to basicity for certain functional groups.