Structure of organic/inorganic interface in assembled materials comprising molecular components. Crystal structure of the sensitizer Bis[(4,4{prime}-carboxy-2,2{prime}-bipyridine)(thiocyanato)]ruthenium(II)
- Swiss Federal Inst. of Tech., Zuerich (Switzerland). Lab. of Crystallography
- Swiss Federal Inst. of Tech., Lausanne (Switzerland)
Structural data have been obtained for the photosensitizer bis[(4,4{prime}-carboxy-2,2{prime}-bipyridine)(thiocyanato)]ruthenium(II) (1) via X-ray diffraction analysis. Crystals of 1 are triclinic, a = 11.4663(4) {angstrom}, b = 12.5897(5) {angstrom}, c = 18.9329(7) {angstrom}, {alpha} = 75.238(2){degree}, {beta} = 89.611(2){degree}, {gamma} = 66.446(2){degree}, space group P{bar 1}, Z = 2, refinement to R = 0.0809, R{sub w} = 0.0950 for 4045 observed reflections. Structural models of sensitizer molecules anchoring to the TiO{sub 2} anatase surface and models of close-packed sensitizer monolayers with different anchoring types have been built by using experimental geometry of known organic Ti complexes and the X-ray structure of sensitizer 1. On the basis of a simple one-dimensional tight-binding model, it was suggested that possible modifications of TiO{sub 2}/sensitizer interface could enhance interfacial transparency for injected electrons.
- OSTI ID:
- 669765
- Journal Information:
- Chemistry of Materials, Vol. 10, Issue 9; Other Information: PBD: Sep 1998
- Country of Publication:
- United States
- Language:
- English
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