Vibrational force constants of benzene: MO analysis
- 1 February 1970
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 18 (2) , 213-216
- https://doi.org/10.1080/00268977000100221
Abstract
The force constants of the planar skeleton vibrations of benzene are calculated according to an SCF method which should be more generally useful than the one given recently by Tric. It appears that in the SCF approximation the results of a calculation of both u.v. spectra and vibrational force constants with one set of parameters are not entirely satisfactory.Keywords
This publication has 11 references indexed in Scilit:
- A self-consistent calculation of benzene vibrationsMolecular Physics, 1969
- A self-consistent calculation of benzene vibrationsMolecular Physics, 1968
- A comparison of Urey Bradley and valence force-fields for chlorinated benzenesSpectrochimica Acta, 1964
- On Perturbation Calculations for the -Electrons and their Application to Bond Length Reconsiderations in Aromatic HydrocarbonsProceedings of the Physical Society, 1961
- The alternation of bond lengths in long conjugated chain moleculesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1959
- The density matrix in self-consistent field theory I. Iterative construction of the density matrixProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956
- Theory of the Electronic Spectra and Structure of the Polyacenes and of Alternant HydrocarbonsThe Journal of Chemical Physics, 1956
- The force field, vibration frequencies, normal co-ordinates, infra-red and Raman intensities for benzenePhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1955
- Electron interaction in unsaturated hydrocarbonsTransactions of the Faraday Society, 1953
- The Vibrational Spectra of Molecules and Complex Ions in Crystals. II. BenzeneThe Journal of Chemical Physics, 1949