Self-consistent reaction field calculations of the solvent effect on absorption and emission n, π* transitions of diazines
✍ Scribed by Felice Zuccarello; Antonio Raudino; Giuseppe Buemi
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 518 KB
- Volume
- 84
- Category
- Article
- ISSN
- 0301-0104
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📜 SIMILAR VOLUMES
TIP= relat.ivo salvation of the ground and the excited states corresponding to the n -L R\* W transition of carbonyl chromophores is determined, for a serie of solvents, on the basis of (11 the value of AE = hv, (2) the salvation enthaipy of the ground state determined by calorimetry, (3) the enthai
A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th