High-resolution spectrum and rovibrational analysis of the ν 1 CH-stretching fundamental in CHD2I

With the long-term aim of understanding the detailed mechanism of intramolecular vibrational redistribution (IVR) from the CH-stretching mode to the low-frequency modes of the heavy atom framework, we have studied the infrared spectrum of CHD2I below 3100 cm−1 and around 6000 cm−1 using high-resolution Fourier transform infrared spectroscopy. A detailed analysis of the ν1 fundamental based on 1349 assigned transitions results in an accurate band centre  cm−1 and further spectroscopic parameters are summarised in Table 3. Numerous local perturbations are observed in the analysis. The results are discussed in relation to previous spectroscopic work on this molecule and to IVR processes observed previously by fs pump-probe spectroscopy in our group.