Vibrational frequencies, force constants, mean amplitudes, shrinkage effects, and Coriolis constants for CF₃C≡CX (where X = Cl, Br, and I)

Abstract

Harmonic force fields are developed for 1-chloro-, 1-bromo-, and 1- iodo-3,3,3-trifluoropropyne on the basis of recent infrared and Raman data. Calculated mean amplitudes of vibration, Bastiansen-Morino shrinkage effects, and Coriolis coupling constants are reported.