Solid-state carbon-13 NMR and computational characterization of the N719 ruthenium sensitizer adsorbed on TiO2 nanoparticles

The ruthenium-containing sensitizing dye N719 grafted on TiO2 nanoparticles was investigated by solidstate NMR. The carbon resonances are assigned by means of 13C 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