title: Molecular structure and vibrational spectra of phenolphthalein and its dianion.
abstract: Infrared (IR) and Raman spectra of phenolphthalein (PP) and its dianion form (sodium and potassium salts) were studied both in the solid state and in aqueous solution. Band assignments were carried out on the basis of the isotope shifts of the ring deuterated and 13C-substituted derivatives. Spectral analyses reveal that the PP dianion exists as mixtures of the benzenoid form (colorless) and the quinonoid form (colored) in the solid state and in aqueous solution, while the neutral PP solely takes the gamma-lactone form. This work provides the first vibrational spectroscopic evidence for the coexistence of the two species in the PP dianions.
authors.affiliation: Department of Chemistry and Chemical Engineering, Faculty of Technology, Kanazawa University, Japan. lee@kenroku.kanazawa-u.ac.jp
authors.forename: K K
authors.initials: KK
authors.lastname: Kunimoto
authors.forename: H
authors.initials: H
authors.lastname: Sugiura
authors.forename: T
authors.initials: T
authors.lastname: Kato
authors.forename: H
authors.initials: H
authors.lastname: Senda
authors.forename: A
authors.initials: A
authors.lastname: Kuwae
authors.forename: K
authors.initials: K
authors.lastname: Hanai
mesh_terms: D007202:Indicators and Reagents / Q000737:chemistry; D015394:Molecular Structure; D010635:Phenolphthaleins / Q000737:chemistry*; D012492:Salts / Q000737:chemistry; D012964:Sodium / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: D007202:Indicators and Reagents; D010635:Phenolphthaleins; D012492:Salts; D012964:Sodium