Vibrational frequencies, force constants, mean amplitudes, shrinkage effects and thermodynamic functions for monohaloacetylenes

Abstract

Harmonic force fields are developed for the monohaloacetylenes on the basis of recent vibrational spectra of H-CC-I and previously published spectra of H-CC-X (X = F, Cl, Br). Mean amplitudes of vibration and Bastiansen-Morino shrinkage effects are reported for monohaloacetylenes and their deuterated derivatives. Thermodynamic functions are listed for monoiodoacetylene.