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- W2006904764 abstract "Les résultats expérimentaux et théoriques obtenus pour le 5-méthoxyindole (5MOI) montrent un grand écart énergétique entre les transitions S0 → S1 et S0 → S2 dont nous indiquerons les positions et une distribution de charge très différente de celle de l'indole. En outre, nous avons attribué l'épaulement de faible intensité observé du côté rouge de la première bande d'absorption S0 → S1 à une transition de type nπ*, caractéristique du substituant méthoxy, et non à une bande chaude comme l'ont suggéré certains auteurs. L'effet du solvant sur ce composé et les résultats obtenus par les calculs semi-quantiques CNDO/2 et CNDO/M sont discutés The experimental and theoretical results obtained for 5-methoxyindole (5MOI) indicate a large energetic difference between the S0 → S1 and S0 → S2 transitions indicating a charge distribution very different from that of indole. A weak shoulder on the long wavelength side of the S0 → S1 band is attributed to a nπ* transition associated with the methoxy substituent. This feature has previously been attributed to a hot band. The effect of solvent on the molecule and the results obtained by the quantitative quantum CNDO/2 and CNDO/M methods are discussed." @default.
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- W2006904764 date "1994-09-01" @default.
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- W2006904764 title "Etude des premières bandes d'absorption S0→S1 et S0→S2 du 5-méthoxyindole" @default.
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- W2006904764 doi "https://doi.org/10.1016/0584-8539(94)80183-5" @default.
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