Solvent effect calculations on directly bonded 15N-H spin couplings in aniline and 4-nitroaniline
✍ Scribed by Shosuke Watanabe; Isao Ando
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 406 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0022-2860
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📜 SIMILAR VOLUMES
The two-bond "N,H coupling constant in 3,5dimethylpyridine was determined in 30 solvents and shown to vary between -11 and -3 Hz. An increasing ability of the solvent to form hydrogen bonds causes a steady decrease in I \*J("N,H) I , which is also observed with some selected pyridine derivatives wit
## Abstract ^1^__J__(^15^N^13^C) values obtained from FT ^13^C NMR spectra were measured for a number of ^15^N‐enriched aniline derivatives and are found to exhibit varying degrees of dependence on the nature of the ring substituent. Theoretical calculations of ^1^__J__(^15^N^13^C) values for repre
## Abstract According to the ^1^H, ^13^C and ^15^N NMR spectroscopic data and DFT calculations, bifurcated NH···N and NH···O intramolecular hydrogen bond is shown to be present in 2‐trifluoroacetyl‐5‐(2′‐pyridyl)‐pyrrole. This bifurcated hydrogen bond causes an increase in the absolute size of th
## 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
The condensation of aniline with glyoxal and formaldehyde in stoichiometric ratio, leads to 2,4,6,8-tetraphenyl-2,4,6,8-tetraazabicyclol3.3.0]octane (lf) with formic acid as catalyst. Nine substituted derivatives of If have been prepared in high yield by this synthetic method. X-ray analysis reveale