title: Study of 7-azaindole in its first four singlet states.
abstract: The molecular structure and properties of 7-azaindole in its first four singlet states were studied with a view to improving current understanding of the photophysical behavior of its C(2h) dimer. This dimer, which exhibits a double proton transfer via its two hydrogen bonds upon electronic excitation, has for 35 years been used as a model for the photophysical behavior of DNA base pairs. Electronic excitation of 7-azaindole simultaneously increases its acidity and basicity; these changes facilitate a concerted mechanism for the double proton transfer in the dimer. In this work, we found the acidity and basicity changes to occur only in its first pi,pi(*) excited singlet state.
authors.affiliation: Departamento de Química Física Aplicada, Universidad Autónoma, Cantoblanco, Madrid, Spain. javier.catalan@uam.es
authors.forename: J
authors.initials: J
authors.lastname: Catalán
authors.forename: J L G
authors.initials: JL
authors.lastname: de Paz