The C 2 conformation 3 was established to be the preferred conformation of the isopropyl cation. The calculated 13 C NMR chemical shifts of C 2 conformation 3 also agree very well with the experimental data. However, this is, in contrast with the recent claims by Fa Λrcas Γiu and coworkers, who foun
Solvation of an acetonitrile molecule in benzene studied by 1H and 13C NMR chemical shifts and ab initio SCF calculations
β Scribed by K. Jackowski
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 160 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0167-7322
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## Abstract According to the ^1^H, ^13^C and ^15^N NMR spectroscopic data and __ab initio__ calculations, the strong Nο£ΏHΒ·Β·Β·O intramolecular hydrogen bond in the __Z__βisomers of 2β(2βacylethenyl)pyrroles causes the decrease in the absolute size of the ^1^__J__(N,H) coupling constant by 2 Hz in CDCl