The far-infrared vapor phase spectra of some halosubstituted anilines
- 15 July 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 69 (2) , 827-832
- https://doi.org/10.1063/1.436597
Abstract
Vapor phase far‐infrared spectra from 35 to 675 cm−1 of the nine ortho‐, meta‐, and para‐substituted fluoro‐, chloro‐, and bromoanilines obtained with an interferometer are reported. The vi=1, 2, and 3 levels of the amino group inversion vibration are established from the observed transitions, and the barriers to inversion are derived from these, using a simple double minimum harmonic well potential with a Gaussian barrier. Calculated barrier heights range between 385.9 cm−1 (2‐bromoaniline) and 599.9 cm−1 (4‐fluoroaniline). The following out‐of‐plane vibrations are also assigned: amino group wag, substituent wag, and ring deformation. The ντ±νi combinations lead to deduced frequencies for the torsional vibration ντ in a number of cases.Keywords
This publication has 10 references indexed in Scilit:
- The conformation of o-fluoroaniline by microwave spectroscopyJournal of Molecular Structure, 1977
- Infrared intensities: a guide to intramolecular interactions in conjugated systemsChemical Reviews, 1977
- The far-infrared vapour phase spectra of aniline-ND2 and aniline-NHDChemical Physics Letters, 1977
- A MINDO/3 study of the planarity of the amino-fragment in some para-substituted anilinesJournal of Molecular Structure, 1977
- Far infrared investigation of aniline and 4-fluoroaniline in the vapour phase. Inversion and torsion of the amino groupChemical Physics Letters, 1976
- UV spectral changes from rotational and inversion processes at the nitrogen center in aniline moleculesTheoretical Chemistry Accounts, 1976
- Structure of the amine group in m-fluoroaniline by microwave spectroscopyJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1973
- The investigation of double-minimum potentials in moleculesJournal of Molecular Spectroscopy, 1966
- Vibrational Spectra of Benzene Derivatives. II. Frequency Assignments in the CsBr RegionApplied Spectroscopy, 1964
- The occurrence and properties of molecular vibrations withV(x) =ax4Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1945