Vibrational overtone intensities of the isolated CH and CD chromophores in fluoroform and chloroform

Abstract

Absolute integrated band strengths are reported for the Fermi resonance overtone polyads ( N = 1 to 4) of the isolated CH chromophore in CHF 3, CDF 3, CHCl 3, CDCl 3. The CH data are evaluated with the Mecke function for the local dipole moment μ( r)α rexp(-α r) and the resulting first predictions for CD agree with experiment. The results are discussed in relation to electronic structure calculations, IR multiphoton excitation, and IR photochemistry.