Quantum chemical calculations with the semiempirical molecular orbital (MO) method SINDOl were performed on excited states of the following five-and six-membered heterocycles containing nitrogen: imidazol, pyrazol, pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine. The geometries and adiaba
Excited states of N - heterocyclic molecules: nitrogen containing analogs of stilbene
โ Scribed by L. Pedersen; D.G. Whitten; M.T. McCall
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 375 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The photochemistry of stilbene and its N-analogs shows marked differences with respect to radiationless decay. ChTDO/2 calculations on the lowest singlet and triplet states indicate the possibility of low lying n,?r* states from which these radiationless processes occur.
๐ SIMILAR VOLUMES
The dependence of the activation energy for trans-stilbene photoisomerization on solvent permittivity has been determined in n-alcohols via fits of the isomerization rates across the alcohol series at constant solvent permittivity to Kramers expression. The results of this procedure indicate that th