The photoelectron spectrum of N 2 , and partial cross sections as a function of photon energy from 16 to 40 eV
- 2 December 1977
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 358 (1692), 87-103
- https://doi.org/10.1098/rspa.1977.0188
Abstract
An extremely careful inquiry is made into the possibility of predicting bond lengths in condensed aromatic hydrocarbon molecules. Agreement with the best experimental values, such as those of Robertson, Abrahams, White, Mathieson and Sinclair, is fairly easily obtained to an accuracy of about 0$\cdot $02 angstrom. This shows that the concept of fractional bond order may quite properly be used to infer bond lengths. Both the molecular-orbital and resonance methods are equally good for this purpose. Predictions to within less than 0$\cdot $02 angstrom require the introduction of new factors usually neglected. No less than five such factors are discussed: (a) electrostatic forces, arising from possible differences in electronegativity of the various carbon atoms, (b) changes of bond orders due to electronegativity differences, (c) variation of resonance integrals with bond length, (d) obtaining a self-consistent set of resonance integrals, (e) inclusion of configuration interaction. Correction terms which result from these improvements lie between 0 and 0$\cdot $015 angstrom, and are not all of the same sign. It is unlikely therefore that this type of analysis will be able to give confident predictions of bond lengths to less than 0$\cdot $01 angstrom.Keywords
This publication has 9 references indexed in Scilit:
- Ultraviolet Photoionization Cross Sections forand COPhysical Review Letters, 1976
- The absorption cross sections of N2, O2, CO, NO, CO2, N2O, CH4, C2H4, C2H6 and C4H10 from 180 to 700ÅJournal of Quantitative Spectroscopy and Radiative Transfer, 1973
- Critical review of ultraviolet photoabsorption cross sections for molecules of astrophysical and aeronomic interestPublished by National Institute of Standards and Technology (NIST) ,1971
- A constant deviation grazing incidence monochromatorJournal of Physics E: Scientific Instruments, 1970
- The analysis of molecular resonant statesChemical Physics Letters, 1968
- Interference in the Photo-Ionization of MoleculesPhysical Review B, 1966
- Potential energy curves for N2, NO, O2 and corresponding ionsJournal of Quantitative Spectroscopy and Radiative Transfer, 1965
- Effects of Configuration Interaction on Intensities and Phase ShiftsPhysical Review B, 1961
- Absorption and Emission Spectra in the RegionPhysical Review B, 1930