STRUCTURE OF ORGANIC INORGANIC INTERFACE IN ASSEMBLED MATERIALS COMPRISING MOLECULAR-COMPONENTS - CRYSTAL-STRUCTURE OF THE SENSITIZER RBOXY-2,2'-BIPYRIDINE)(THIOCYANATO)]RUTHENIUM(II)/

Structural data have been obtained for the photosensitizer arboxy-2,2' -bipyridine)(thiocyanato)]ruthenium(II) (1) via X-ray diffraction anal ysis. Crystals of 1 are triclinic, a = 11.4663(4) Angstrom, b = 12.589 7(5) Angstrom, c = 18.9329(7) Angstrom, alpha = 75.238(2)degrees, beta = 89.611(2)degrees, gamma = 66.446(2)degrees, space group P (1) over bar, Z = 2, refinement to R = 0.0809, R-w = 0.0950 for 4045 observed r eflections. Structural models of sensitizer molecules anchoring to the TiO2 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 sens itizer 1. On the basis of a simple one-dimensional tight-binding model , it was suggested that possible modifications of TiO2/sensitizer inte rface could enhance interfacial transparency for injected electrons.