title: Microsolvation effects on the optical properties of crystal violet.
abstract: We present a joint experimental and theoretical study of the photoabsorption and photodissociation behavior of crystal violet, that is, the tris[p-(dimethylamino)phenyl]methyl cation. The photodissociation spectra of isolated and microsolvated crystal violet have been measured. A single band is observed for the bare cation. This is in good agreement with the calculated vibronic absorption spectrum based on time-dependent density functional theory calculations. The interaction of crystal violet with a single water molecule shifts and broadens the photodissociation spectrum, so that it approaches the spectrum obtained in solution. Theoretical calculations of the structure of the complex suggest that the shift in the absorption spectrum originates from a water molecule bonding with the central carbon atom of crystal violet.
authors.affiliation: Université de Lyon, Université Lyon 1; CNRS, LASIM UMR 5579, 43 Boulevard du 11 novembre 1918, Villeurbanne, France. claire.loison@lasim.univ-lyon1.fr
authors.forename: Claire
authors.initials: C
authors.lastname: Loison
authors.forename: Rodolphe
authors.initials: R
authors.lastname: Antoine
authors.forename: Michel
authors.initials: M
authors.lastname: Broyer
authors.forename: Philippe
authors.initials: P
authors.lastname: Dugourd
authors.forename: Julien
authors.initials: J
authors.lastname: Guthmuller
authors.forename: Daniel
authors.initials: D
authors.lastname: Simon
mesh_terms: D005840:Gentian Violet / Q000737:chemistry*; D008958:Models, Molecular; D055095:Optics and Photonics; D012997:Solvents / Q000737:chemistry*
chemical_list: D012997:Solvents; D005840:Gentian Violet