We herein discuss the use of 1,1-diphosphineamide ligands for synthesis mono- and heterobimetallic complexes Rh(I) Ti(IV) metal centers. A small library monometallic species was sy...

Five complexes with the generic formula [ReBr(CO)3(κ2-S,S'-S2C·NHC)] were obtained by reacting [ReBr(CO)5] with a set of representative imidazol(in)ium-2-dithiocarboxylate zwitterions. These ligands are the adducts of N-heterocyclic carbenes (NHCs) and carbon disulfide. The monometallic Re(i) compounds were further coupled with Na[Re(CO)5] to afford bimetallic Re(0) species. Depending on the ex...

Binuclear rhenium(I) complexes with 1,2-bis(4,4'-methyl-[2,2']bipyridyl)-ethane and 1,2-bis(4,4'-methyl-[2,2']bipyridyl)-dodecane as bridging ligands and their mononuclear analogues have been synthesized and characterized by their spectroscopic and electrochemical properties. First reduction potentials and luminescence properties as well as the reductive quenching of the emissive state with TEO...

Introduction Steam reforming is a process that converts hydrocarbon fuels into hydrogen and oxygenated carbon species. This process is important for catalytic hydrogen production and for direct electrochemical reforming of hydrocarbons over high temperature fuel cells, such as Solid Oxide Fuel Cells (SOFCs). One of the main problems associated with the process is that conventional reforming (el...

Ethanol (EtOH) decomposition has been widely studied in recent years. However, the initial dehydrogenation selectivity on catalytic surfaces, which plays a crucial role in EtOH partial oxidation and steam reforming, is not well understood. Here, density functional theory (DFT) was used to calculate the initial dehydrogenation selectivities of EtOH on monometallic and X/Au (X = Pd and Rh) close-...

The electronic structure of the N-heterocyclic carbene (NHC) functionalized polyoxometalate [K(PW(9)O(34))(2)(cis-WO(2))(cis-RuLMe(2))](12-) (1) is studied computationally; and its Ru-NHC bonding situation is compared with other monometallic Ru-NHC complexes, as well as other representative carbene complexes. The DFT analysis further supports the low spin configuration, S = ½, as the ground sta...

The heretofore unknown emission properties of the metal-to-ligand charge-transfer (MLCT) excited states of several complexes with (ruthenium)(monodentate aromatic ligand, MDA) chromophores are given. Emission spectra and lifetimes in 77 K glasses are reported for several monometallic complexes of the type [Ru(NH3)(5-n)(L)(n)(MDA)](2+) and two bimetallic pyrazine (pz)-bridged [{Ru(NH3)(4-n)(L)(n...