Intramolecular N–H···O and N–H···N hydrogen bonding patterns in N-benzyl and N-(pyridin-2-ylmethyl) benzamides
✍ Scribed by Ping Du; X-Kui Jiang; Zhan-Ting Li
- Book ID
- 108285293
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- French
- Weight
- 512 KB
- Volume
- 50
- Category
- Article
- ISSN
- 0040-4039
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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