## Abstract Neutral/zwitterionic form equilibrium, excited state wave functions, absorption and emission spectra of kynurenine (KN) in various solvents (water, methanol, ethanol, and dimethylsulfoxide) have been studied theoretically. The ground electronic state geometries have been optimized by de
Influence of benzene-ring addition and the solvent on the electronic absorption spectra of porphyrin complexes
β Scribed by E. B. Karavaeva; B. D. Berezin; T. I. Potapova
- Publisher
- Springer US
- Year
- 1980
- Tongue
- English
- Weight
- 304 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0021-9037
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## Abstract Aromatic polynuclear __p__βquinones and their derivatives have been studied using their electronic absorption and luminescence spectra and their basicity. The data were used to provide a basis for the study of the relationships between the structure and the spectral characteristics.
Solvent shift in \\*izter of b -n \* transltions of the carbonyl group is evaluated makmg use of a recently proposed com-put&or& procedure for the contmuum solvent model. Comparisons aith the discrete model and with composite discretecontinuum procedures are performed. I. Introduction In a recent pa