Photoelectron Spectra of Molecules. I. Ionization Potentials of Some Organic Molecules and Their Interpretation
- 15 January 1969
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 50 (2) , 654-667
- https://doi.org/10.1063/1.1671114
Abstract
The photoelectron spectra of 67 organic compounds, including paraffins, cycloparaffins, olefines, dienes, aromatic hydrocarbons, alcohols, ethers, aldehydes, ketones, and diene iron tricarbonyl complexes, have been measured, using a simple retarding‐potential grid‐type spectrometer, and the results interpreted in terms of a recently developed semiempirical SCF MO treatment (MINDO approximation). The observed ionization potentials show a remarkably close relationship to the calculated Hartree–Fock MO energies over the whole range of ionization potentials (<20 eV) studied. An estimate is given for the first ionization potential of cyclobutadiene.Keywords
This publication has 13 references indexed in Scilit:
- Ionization Potential of cis-1,3-ButadieneThe Journal of Chemical Physics, 1968
- Ground states of conjugated molecules. IX. Hydrocarbon radicals and radical ionsJournal of the American Chemical Society, 1968
- Photoelectron kinetic energy analysis in gases by means of a spherical analyserProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1967
- Molecular SCF Calculations on CH4, C2H2, C2H4, C2H6, BH3, B2H6, NH3, and HCNJournal of the American Chemical Society, 1966
- CyclobutadieneJournal of the American Chemical Society, 1965
- Ground States of Conjugated Molecules. II. Allowance for Molecular Geometry1a,bJournal of the American Chemical Society, 1965
- Ground States of Conjugated Molecules. I. Semiempirical SCF MO Treatment and Its Application to Aromatic HydrocarbonsThe Journal of Chemical Physics, 1965
- PHOTOIONIZATION OF GASES AND VAPORS BY VACUUM ULTRAVIOLET RADIATIONSoviet Physics Uspekhi, 1964
- A Third Rydberg Series ofPhysical Review B, 1953
- The ionization potentials of butadieneTransactions of the Faraday Society, 1945