Estimation of hydrogen bond energy in n-alkanols from the gas chromatography data
โ Scribed by R. V. Golovnya; T. E. Kuz"menko
- Book ID
- 110300642
- Publisher
- Springer
- Year
- 2001
- Tongue
- English
- Weight
- 227 KB
- Volume
- 50
- Category
- Article
- ISSN
- 1573-9171
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๐ SIMILAR VOLUMES
Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn
Energy calculations in various approximations for small cationic water clusters have been used to estimate energy parameters in the @ Hamiltonian for proton movement in the chain of hydrogen-bonded molecules. It was shown that the coupling between protons on adjacent hydrogen bonds is far too small