To reveal the origin of the CO oxidation activity of Ruthenium nanoparticles (Ru NPs), we structurally characterized Ru NPs through Rietveld refinement analysis of high-energy X-ray diffraction data. For hexagonal close-packed (hcp) Ru NPs, the CO oxidation activity decreased with decreasing domain surface area. However, for face-centered cubic (fcc) Ru NPs, the CO oxidation activity became str...

The Ru-Ru bond length for Ru2II,III and Ru2II,II paddlewheel complexes containing the bulky carboxylate ligand 2,4,6-triisopropylbenzoate was found to decrease despite a reduction in Ru-Ru bond order, due to increased internal rotation.

Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This...

The asymmetric unit of the title compound, [Ru3(C19H17P)(C25H22P2)(CO)9], consists of two independent mol-ecules. The bis-(di-phenyl-phosphan-yl)methane ligand bridges an Ru-Ru bond and the benzyl-diphenyl-phosphane ligand binds to the third Ru atom. The Ru-Ru bond cis to the benzyl-diphenyl-phosphane ligand is the longest of the three Ru-Ru bonds in both mol-ecules. In the crystal, mol-ecules ...

We measured in absorption mode at the Ruthenium K-edge, Ru-Ru and Ru-N distances, in structurally known systems: the Ruthenium dimeric precursor compound, already structurally characterized, the monomeric species of Ruthenium phthalocyanine (adduct) and the polymeric species of Ruthenium phthalocyanine (with bridging oxygen). The film, a candidate for sensor and electrochromic applications, is ...

The isolable ruthenium(II) bis(dinitrogen) complex [Ru(H)2(N2)2(PCy3)2] (1) reacts with aryl ethers (Ar-OR, R = Me and Ar) containing a ketone directing group to effect sp2C-O bond activation at temperatures below 40 °C. DFT studies support a low-energy Ru(II)/Ru(IV) pathway for C-O bond activation: oxidative addition of the C-O bond to Ru(II) occurs in an asynchronous manner with Ru-C bond for...

This thesis concerns the development and study of Ru-based water oxidation catalysts (WOCs) which are the essential components for solar energy conversion to fuels. The first chapter gives a general introduction about the field of homogenous water oxidation catalysis, including the catalytic mechanisms and the catalytic activities of some selected WOCs as well as the concerns of catalyst design...