title: Solid-state carbon-13 NMR and computational characterization of the N719 ruthenium sensitizer adsorbed on TiO₂ nanoparticles.
abstract: The ruthenium-containing sensitizing dye N719 grafted on TiO2 nanoparticles was investigated by solid-state NMR. The carbon resonances are assigned by means of (13)C cross-polarized dipolar dephasing experiments. DFT calculations of the carbon magnetic shielding tensors accurately describe the changes in chemical shifts observed upon grafting onto a titania surface via one or two carboxylic functions in the plane defined by the two isothiocyanate groups.
authors.affiliation: Laboratoire de Resonance Magnétique Biomoléculaire, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, EPFL, Batochime, 1015 Lausanne, Switzerland. diego.carnevale@epfl.ch.
authors.forename: Nicola
authors.initials: N
authors.lastname: Salvi
authors.forename: Julien
authors.initials: J
authors.lastname: Frey
authors.forename: Diego
authors.initials: D
authors.lastname: Carnevale
authors.forename: Michael
authors.initials: M
authors.lastname: Grätzel
authors.forename: Geoffrey
authors.initials: G
authors.lastname: Bodenhausen
mesh_terms: D002247:Carbon Isotopes / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D053768:Metal Nanoparticles / Q000737:chemistry*; D010316:Particle Size; D012428:Ruthenium / Q000737:chemistry*; D014025:Titanium / Q000737:chemistry*
chemical_list: D002247:Carbon Isotopes; C009495:titanium dioxide; D012428:Ruthenium; D014025:Titanium