Band Shape of Photoelectron Spectrum and Potential Energy Curve for Alkylamine
- 1 January 1987
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 60 (1) , 9-18
- https://doi.org/10.1246/bcsj.60.9
Abstract
Accurate measurements of UPS and ab initio potential energy calculations have been carried out for ammonia and several alkylamines to interpret the band shape of the UPS. Theoretical photoelectron band shape was obtained by a simple Franck–Condon approach. The calculation predicted very well the alkyl substitution effects on the ionization potentials and on the band widths of the first bands in UPS for the alkylamines. The following conclusions were obtained by comparing these theoretical photoelectron bands with experimental ones. The threshold ionization potential observed in the UPS is not always thermodynamically adiabatic ionization energy, but it can be subject to hot bands. Adiabatic ionization potential IPa of ammonia is concluded to be 10.08 eV. And the values of IPa for a series of alkylamines are evaluated by taking account of molecular vibrational frequency for the neutral state.This publication has 49 references indexed in Scilit:
- Molecular mechanics calculations on aliphatic aminesJournal of the American Chemical Society, 1985
- He(I) photoelectron spectra of various alkylaminesJournal of Electron Spectroscopy and Related Phenomena, 1985
- Correlation between the symmetry factor of the electrode reaction and the band shape of the photoelectron spectrum for alkylamineThe Journal of Physical Chemistry, 1983
- Inversion barriers in methyl-substituted aminesThe Journal of Physical Chemistry, 1981
- Photoelectron spectrum and gas-phase basicity of manxine. Evidence for a planar bridgehead nitrogenJournal of the American Chemical Society, 1975
- Photoelectron spectra and valence shell orbital structures of groups V and VI hydridesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1972
- Isotope Effects on Vibrational Transition Probabilities. III. Ionization of Isotopic H2, N2, O2, NO, CO, and HCl MoleculesThe Journal of Chemical Physics, 1965
- Franck—Condon Factors for Polyatomic MoleculesThe Journal of Chemical Physics, 1964
- Franck—Condon Factors for the Ionization of CO, NO, and O2The Journal of Chemical Physics, 1964
- The ultra-violet absorption spectrum of ammoniaTransactions of the Faraday Society, 1961