Force Constants and Normal Vibrations of the Propargyl Halides
- 2 July 1964
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 41 (2) , 456-462
- https://doi.org/10.1063/1.1725889
Abstract
Several modifications of a Urey—Bradley field combined with a valence force field have been used for the calculation of the normal coordinates of the propargyl halides CH2X–C≡C–H (X=F, Cl, Br, I). The force constants obtained by a least‐squares method have been compared in terms of the structural changes introduced by the halogen atom. A kinetic effect seems to account for the splitting of the –C≡C–H in‐plane and out‐of‐plane bending modes.Keywords
This publication has 13 references indexed in Scilit:
- The calculation of force constants and normal co-ordinates—III: Constrained force fields for the methyl halidesSpectrochimica Acta, 1963
- The vibrational spectra and vibrational assignments of the propargyl halidesSpectrochimica Acta, 1963
- Force constant calculations—I: Theory and procedureSpectrochimica Acta, 1963
- Vibrational analysis of the n-paraffins—IISpectrochimica Acta, 1963
- Urey—Bradley Force Constants of MethanolThe Journal of Chemical Physics, 1963
- The calculation of force constants and normal co-ordinates—II: Methyl fluorideSpectrochimica Acta, 1962
- Infrared absorptions characteristic of the terminal acetylenic group (-CC-H)Spectrochimica Acta, 1960
- Microwave Spectrum, Structure, Dipole Moment, and Quadrupole Coupling Constant of Propargyl ChlorideThe Journal of Chemical Physics, 1958
- The Structure of Trifluoromethyl Acetylene from the Microwave Spectrum and Electron Diffraction PatternThe Journal of Chemical Physics, 1951
- The Normal Vibrations of Polyatomic Molecules as Treated by Urey-Bradley FieldThe Journal of Chemical Physics, 1949