Meta-substituted Ru(II) rigid rods for sensitization of TiO(2)

• Abstract in Undetermined Ruthenium polypyridyl rigid-rod compounds with phenylene-ethynelene (OPE) spacers and an isophthalic acid (Ipa) binding group were synthesized and characterized for sensitization of nanocrystalline TiO(2) (anatase) thin films. Density functional theory predicted that the most stable structure oriented the isophthalic group about 45 degrees from normal to the TiO(2) surface. Comparative experimental studies of meta- and para-isomers revealed small changes in the ground state absorption spectra and very similar excited state and redox properties. The excited state injection yields (inj = 0.15 +/- 0.03)into nanocrystalline TiO(2) and the subsequent charge recombination rates were found to be insensitive to the isomer utilized. Meta-substitution enabled the synthesis of sensitizers with two Ru(II) sensitizers that displayed enhanced sunlight absorption relative to the monomeric compound.

Ämnesord

NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

Nyckelord

Ru compounds

MLCT excited states

Titanium dioxide

DFT calculations

Meta-substitution

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