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The qualitative and quantitative accuracy of DFT methods in computing 1J(C–F), 1J(C–N) and nJ(F–F) spin–spin coupling of fluorobenzene and fluoropyridine molecules

✍ Scribed by Adeniyi, Adebayo A.; Ajibade, Peter A.


Book ID
127275986
Publisher
Elsevier Science
Year
2015
Tongue
English
Weight
723 KB
Volume
151
Category
Article
ISSN
0022-4073

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A 13C{1H} double resonance study of the
✍ W. S. Brey; L. W. Jaques; H. J. Jakobsen 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 397 KB

## Abstract The signs of all ^13^C^19^F and ^1^H–^19^F coupling constants in fluorobenzene, some substituted derivatives, and in 2‐fluoropyridine have been related using single‐frequency ^13^C{^1^H} double resonance techniques. All ^13^C^19^F couplings in these compounds are shown to be positive