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
Effect of selected hydrogen-bonding solvents on the absorption maxima of N-retinylidene-n-butylammonium salts
β Scribed by Blatz, Paul E.; Mohler, Jonathan H.
- Book ID
- 126191597
- Publisher
- American Chemical Society
- Year
- 1972
- Tongue
- English
- Weight
- 475 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0006-2960
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## 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
Our method for estimating solvent effects on electronic spectra in media with strong solute-solvent interactions is applied here to calculate the absorption and fluorescence solvatochromatic shifts of dilute triazines in water. First, the ab initio CASSCF method is used to estimate the gas-phase ele