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Intramolecular NH⋯O resonance-assisted hydrogen bonds in crystal structures of oxaphosphinanes and chromones—DFT calculations and AIM analysis

✍ Scribed by Magdalena Małecka


Book ID
104058615
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
893 KB
Volume
831
Category
Article
ISSN
0022-2860

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GIAO, DFT, AIM and NBO analysis of the N
✍ Andrei V. Afonin; Igor A. Ushakov; Alexander V. Vashchenko; Evgeniy V. Kondrasho 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 209 KB

## Abstract In the series of diaminoenones, large high‐frequency shifts of the ^1^H NMR of the NH group in the __cis__‐position relative to the carbonyl group suggests strong NH···O intramolecular hydrogen bonding comprising a six‐membered chelate ring. The NH···O hydrogen bond causes an increas