Solvent effects on the nitrogen shieldings of N,N-dimethylacetamidine (1) were found to be extremely large for the imino group (about 120 ppm) and for the amino moiety (about 50 ppm). A detailed analysis of the solvent-induced variations revealed contributions from three large interactions. These ar
NMR study of the influence of hydrogen bonding on geometry and hindered rotation in N,N-dimethylsalicylamide
β Scribed by V. N. Kalinin; L. I. Kalinina
- Publisher
- Springer US
- Year
- 1978
- Tongue
- English
- Weight
- 221 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0021-9037
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π SIMILAR VOLUMES
Bamers to rotation about the partial double C-N' bond were determined from line shape analysis of 'H and I3C dynamic NMR spectra of N',N'-dimethyl-NZ-substituted phenylacetamidines with twelve different substituents on the phenyl ring. The values of AGGc are 51.2-58.7 kJ mol-' and the correlation wi
Rates of rotations about the C-N' partial double bond in a series of six N',N' penta-and six N',N'-hexa-methylene-Nz-substituted-phenyformamidines were determined from 13C DNMR line shape analysis. Electron accepting substituents at the phenyl ring increase the barrier to rotation, and electron don
## Abstract Density functional theory combined with the polarizable continuum model (PCM) and continuous set of gauge transformations method is applied to investigate the effects of solvent polarity on the nitrogen NMR shieldings of __N__, __N__βdimethylacetamidine. Hydrogen bonding effects on shie