Vibrational spectroscopy is a powerful tool for probing molecular structures and dynamics since it offers a unique fingerprint that allows molecular identification. One of important aspects of applying vibrational spectroscopy is to develop the probes that can characterize the related properties of molecules such as the conformation and intermolecular interaction. Many examples of vibrational probes have appeared in the literature, including the azide group (⁻N₃), amide group (⁻CONH₂), nitrile groups (⁻CN), hydroxyl group (⁻OH), ⁻CH group and so on. Among these probes, the ⁻CH group is an excellent one since it is ubiquitous in organic and biological molecules and the C⁻H stretching vibrational spectrum is extraordinarily sensitive to the local molecular environment. However, one challenge encountered in the application of C⁻H probes arises from the difficulty in the accurate assignment due to spectral congestion in the C⁻H stretching region. In this paper, recent advances in the complete assignment of C⁻H stretching spectra of aliphatic alcohols and the utility of C⁻H vibration as a probe of the conformation and weak intermolecular interaction are outlined. These results fully demonstrated the potential of the ⁻CH chemical group as a molecular probe.
Keywords: C–H group; aliphatic alcohols; conformation; hydrogen bond; vibrational probe.