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Molecular Structure Information From X‐Ray Photoelectron Spectroscopy
Author(s) -
Shirley David A.
Publication year - 1975
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.197500052
Subject(s) - chemistry , x ray photoelectron spectroscopy , molecular orbital , molecule , atomic physics , electron spectroscopy , spectroscopy , relaxation (psychology) , binding energy , atomic orbital , x ray , molecular orbital theory , core electron , yield (engineering) , electronic structure , electron , chemical physics , molecular physics , computational chemistry , nuclear magnetic resonance , physics , quantum mechanics , thermodynamics , organic chemistry , psychology , social psychology
Abstract 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.