Hydrogen bonding, polarity and matrix effects on the spectroscopic and photophysical properties of some N- and 3-substituted derivatives of carbazoles
β Scribed by Pierre D. Harvey; Gilles Durocher
- Book ID
- 107797327
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 556 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0022-2313
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π SIMILAR VOLUMES
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
## 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