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• W2058538336 abstract "Vibrational spectroscopy has been used to demonstrate that the extremely short OH ··· π and ≡CH ··· 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 ≡CH 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." @default.
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• W2058538336 date "1993-01-01" @default.
• W2058538336 modified "2023-10-17" @default.
• W2058538336 title "2-Ethynyladamantan-2-ol: a model compound with distinct OH ··· π and CH ··· O hydrogen bonds" @default.
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• W2058538336 doi "https://doi.org/10.1016/0924-2031(93)87041-q" @default.
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