The influence of steric and polar effects on hydrogen bonding in 2-(N,N-diethylamino)-methyl-4-NO2-phenols
✍ Scribed by A. Filarowski; A. Koll; T. Glowiak
- Book ID
- 110562669
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 794 KB
- Volume
- 27
- Category
- Article
- ISSN
- 1572-8854
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## Abstract According to the density functional theory calculations, the X···H···N (XN, O) intramolecular bifurcated (three‐centered) hydrogen bond with one hydrogen donor and two hydrogen acceptors causes a significant decrease of the ^1h^__J__(N,H) and ^2h^__J__(N,N) coupling constants across th
A set of three aryl dimethyl pyrimidinones have been studied and their crystal structures described in terms of networks of C+H'''O and C+H'''N hydrogen bonds. Two of the three molecules in this study di4er in the replacement of a chloro group by a methyl group and obey the chloro+methyl exchange ru