E. Steinwender, E. Lutz, J. Maas
Jan 14, 1993
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Vibrational Spectroscopy
Abstract
Abstract Vibrational spectroscopy has been used to demonstrate that the extremely short OH ··· π and ≡CH ··· O intermolecular contacts in crystalline 2-ethynyladamantan-2-ol are due to strong interactions, which may unambiguously be typified as hydrogen bonding in view of the behaviour of OH and ≡CH stretching and bending modes. The XH stretching vibration shifts to lower frequency, becomes broader and more intense and has a positive frequency-temperature coefficient, whereas the XH bending modes shift to higher values and show a negative frequency-temperature coefficient. Solution spectra of the title compound in apolar solvents served as a reference for the “free” molecule. Variable-temperature measurements together with deuteration experiments have been performed to establish the correct assignment of these characteristic modes.