SCHEDULED MAINTENANCE
Thermodynamic data on the hydrogen bond equilibria in octyne-donor systems are reported. CNDO/2 calculations have been carried out on hydrogen bonds formed by acetylene, HCN and fluoroform. The calculated values of dissociation energies and C—H … donor distances are in fair agreement with the experimental data. Molecular orbital calculations indicate that there is no intramolecular hydrogen bond in ortho-nitrobenzaldehyde.
A. Goel and C. N. R. Rao, Trans. Faraday Soc., 1971, 67, 2828 DOI: 10.1039/TF9716702828
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