title: Dicondensed indolinobenzospiropyrans as precursors of thermo- and photochromic spiropyrans. Part II: Assignment of (1)H and (13)C NMR spectra.
abstract: The (1)H and (13)C NMR spectra of dicondensed indolinobenzospiropyrans as precursors of thermo- and photochromic spiropyrans, DC1-DC5, were completely assigned. Especially, the (1)H assignment and coupling characteristics of the diastereotopic protons at the carbon-3 position of the benzopyran rings were achieved by conducting (1)H-(1)H COSY and nOe experiments. The dihedral angles (theta(1), theta(2) and theta(3)) calculated from the experimental values of the vicinal coupling constants ((3)J) of DC5 are in good agreement with the observed values in the solid state. All of the carbons in the DC dye molecules were investigated through a combination of heteronuclear 2D-shift correlation spectroscopy (HETCOR) and DEPT135.
authors.affiliation: Department of New Material Chemistry, Korea University, Jochiwon 339-700, South Korea. keum@korea.ac.kr
authors.forename: Sam-Rok
authors.initials: SR
authors.lastname: Keum
authors.forename: Su-Mi
authors.initials: SM
authors.lastname: Ahn
authors.forename: Se-Jung
authors.initials: SJ
authors.lastname: Roh
authors.forename: Su-Jin
authors.initials: SJ
authors.lastname: Park
authors.forename: Sung-Hoon
authors.initials: SH
authors.lastname: Kim
authors.forename: Kwangnak
authors.initials: K
authors.lastname: Koh
mesh_terms: D001555:Benzene Derivatives / Q000737:chemistry* / Q000378:metabolism; D001578:Benzopyrans / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism; D002247:Carbon Isotopes / Q000737:chemistry; D006358:Hot Temperature; D006859:Hydrogen / Q000737:chemistry; D007211:Indoles / Q000737:chemistry* / Q000378:metabolism; D049449:Luminescence; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D009574:Nitro Compounds; D010777:Photochemistry; D012015:Reference Standards
chemical_list: D001555:Benzene Derivatives; D001578:Benzopyrans; D002247:Carbon Isotopes; D007211:Indoles; D009574:Nitro Compounds; C088184:spiropyran; D006859:Hydrogen