Proton donation by an O - H group in a hydrogen bond
β Scribed by A. E. Lutskii; Ya. A. Shuster; V. A. Granzhan; P. M. Zaitsev
- Publisher
- Springer US
- Year
- 1972
- Tongue
- English
- Weight
- 251 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0021-9037
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Proton nuclear magnctlc shxldmg tensors arc calculated for some O-H...0 hydrogen bonds. (H302); (HzO)z, and (H50~)+. The effects of charge, geometry. and bws set are stuled. Agreement ~7th single crystal p&cd NhlR evperimcnts is obtamcd. A Itneer dependence betwcn the proton chcmwal shift and the 0.
Monte Carlo simulations of liquid formamide, N-methylformamide Ε½ . Ε½ . MF , and N, N-dimethylformamide DMF have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ΠΈΠΈΠΈ O and N-H ΠΈΠΈΠΈ O hydrogen bonds. The interaction energy was calculated using th