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One-Bond ( 1dJ H-H ) and Three-Bond ( 3dJ X-M ) Spin−Spin Coupling Constants Across X−H···H−M Dihydrogen Bonds

✍ Scribed by Del Bene, Janet E.; Perera, S. Ajith; Bartlett, Rodney J.; Alkorta, Ibon; Elguero, José; Mó, Otilia; Yáñez, Manuel


Book ID
121240220
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
118 KB
Volume
106
Category
Article
ISSN
1089-5639

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Predicted signs of reduced two-bond spin
✍ Janet E. Del Bene; José Elguero 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 94 KB

## Abstract The reduced two‐bond Fermi‐contact terms and the reduced spin–spin coupling constants ^2h^__K__~X–Y~ across X—H—Y hydrogen bonds for complexes stabilized by C—H—N, N—H—N, O—H—N, F—H—N, C—H—O, O—H—O, F—H—O and C—H—F hydrogen bonds are positive. The NMR Triplet Wavefunction Model (NMRTWM)