A Correlation between Binding Energy and Atomic Charge for Oxygen from X-ray Photoelectron Spectroscopy Based on an Internal Standard for Calibration
- 1 January 1982
- journal article
- research article
- Published by Taylor & Francis in Spectroscopy Letters
- Vol. 15 (3) , 165-173
- https://doi.org/10.1080/00387018208062659
Abstract
X-ray photoelectron spectra (ESCA) for some compounds containing oxygen atoms have been measured. The Cls binding energy of the carbon atoms of phenyl groups has been used as an internal standard. The actual value of this binding energy has been determined from a previously found relation between Eb (Cls) and the infrared absorption intensity (ACH) of the C-H stretching vibrations of the phenyl group. In this way a correlation between the binding energy of the oxygen atom Eb (Ols) and its effective charge (q0) could be set up: Eb = 6.04. q + 535.6. The charges were quoted from quantum chemical calculations in literature or in some cases (e. g. triphenylphosphite and diphenylether) derived from a previously reported relation between the infrared absorption intensity (ACH) and total charge of the phenyl group in compounds of the type C6H5X.Keywords
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