330680-47-2

Upstream product

• 10049-08-8 ruthenium(III)chloride 
• 330680-46-1 trimethyl 2,2:6′,2''-terpyridine-4,4',4''-tricarboxylate 
• 14898-67-0 ruthenium(III) chloride trihydrate 
• 14898-67-0 ruthenium trichloride hydrate 

Relevant academic research and scientific papers

New heteroleptic benzimidazole functionalized Ru-sensitizer showing the highest efficiency for dye-sensitized solar cells

We designed and synthesized a new ruthenium complex using terpyridine as an anchoring ligand and BOC (tert-butyloxycarbonyl) protected bidentate benzimidazole derivative as an ancillary ligand, coded as GS7. The complex was characterized using 1H NMR, FTIR, elemental analysis, UV-vis spectrophotometer, and cyclic voltammetry. We also tested photovoltaic performance of this complex for dye-sensitized solar cell (DSSCs). GS7 when used as a sensitizer for DSSCs with iodine triiodide electrolyte, showed a Jsc of 15.25 mA cm- 2, a Voc of 0.576 V, a FF of 0.691 and overall power conversion efficiency of (η) 6.07%.

Biscyclometalated ruthenium complexes bridged by 3,3′,5,5′- tetrakis(N-methylbenzimidazol-2-yl)biphenyl: Synthesis and spectroscopic and electronic coupling studies

A series of biscyclometalated ruthenium complexes bridged by the title ligand were prepared by either an oxidative dimerization of corresponding monometallic complexes or treatment of the bridging ligand with Ru(L)Cl 3 (L = capping ligand). The electronic properties of these complexes were examined by electrochemical and spectroscopic analysis and DFT/TDDFT calculations. The degree of metal-metal electronic coupling of these complexes was estimated on the basis of intervalence charge-transfer transition analysis of corresponding mixed-valent complexes. These studies indicated that the electronic coupling was strongly dependent on the electronic nature of the terminal ligands. A hole-transfer superexchange mechanism was used to understand the underlying electron-transfer processes.

New terpyridine-based ruthenium complexes for dye sensitized solar cells applications

Three new terpyridine-based ruthenium complexes, named as MC124, MC125 and MC127, were synthesized and employed as sensitizers in dye sensitized solar cells. The MC dyes were characterized with experimental techniques followed by theoretical calculations. The promising optical properties with higher molar extinction coefficients compared to N749 prototypical dye, and suitable positioning of energy levels prompted us to employ these dyes in working devices. When used in conjunction with liquid I-/I3- redox electrolyte, the MC dyes have shown modest performances, with a maximum PCE of 2.3% reached with MC124 in combination of CDCA used as co-adsorbent.

4,4′-Unsymmetrically substituted-2,2′-bipyridines: Novel bidentate ligands on ruthenium(II) [3 + 2 + 1] mixed ligand complexes for efficient sensitization of nanocrystalline TiO2 in dye solar cells

A series of five new ruthenium [3 + 2 + 1] complexes coded as MC107-MC111, with novel unsymmetrical bipyridines as ancillary ligands and terpyridine tricarboxylic acid as an anchoring ligand have been successfully synthesized and characterized by 1H NMR, 13C NMR and UV-Visible spectrometry. Improvement in the molar extinction coefficient of all these sensitizers was observed compared with reference standard N749 dye under comparable conditions. Among all the new sensitizers MC108 exhibited a maximum solar to electrical conversion efficiency of 5.573% (Jsc = 16.81 mA cm-2, Voc = 0.50 V. FF = 0.65) under standard global AM 1.5 G solar condition, when compared to the N749 dye with an efficiency of 6.29% (Jsc = 13.74 mA cm-2, Voc = 0.67 V. FF = 0.68) under similar fabrication and evaluation conditions. Density functional theory (DFT) and time-dependent DFT calculations are carried out for MC107-MC111 to understand their structural, electronic and photophysical properties.

Engineering of efficient panchromatic sensitizers for nanocrystalline TiO2-based solar cells

A new series of panchromatic ruthenium(II) sensitizers derived from carboxylated terpyridyl complexes of tris-thiocyanato Ru(II) have been developed. Black dye containing different degrees of protonation {(C2H5)3NH}[Ru(H3tcterpy)(NCS) 3] 1, {(C4H9)4N}2[Ru(H2 tcterpy)(NCS)3] 2, {(C4H9)4N}3[Ru(Htcterpy)(NCS) 3] 3, and {(C4H9)4N}4[Ru(tcterpy)(NCS) 3] 4 (tcterpy = 4,4′,4″-tricarboxy-2,2′:6′,2″-terpyridine) have been synthesized and fully characterized by UV-vis, emission. IR, Raman, NMR, cyclic voltammetry, and X-ray diffraction studies. The crystal structure of complex 2 confirms the presence of a RuIIN6 central core derived from the terpyridine ligand and three N-bonded thiocyanates. Intermolecular H-bonding between carboxylates on neighboring terpyridines gives rise to 2-D H-bonded arrays. The absorption and emission maxima of the black dye show a bathochromic shift with decreasing pH and exhibit pH-dependent excited-state lifetimes. The red-shift of the emission maxima is due to better π-acceptor properties of the acid form that lowers the energy of the CT excited state. The low-energy metal-to-ligand charge-transfer absorption band showed marked solvatochromism due to the presence of thiocyanate ligands. The Ru(II)/(III) oxidation potential of the black dye and the ligand-based reduction potential shifted cathodically with decreasing number of protons and showed more reversible character. The adsorption of complex 3 from methoxyacetonitrile solution onto transparent TiO2 films was interpreted by a Langmuir isotherm yielding an adsorption equilibrium constant, Kads, of (1.0 ± 0.3) × 105 M-1. The amount of dye adsorbed at monolayer saturation was (na = 6.9 ± 0.3) × 10-8 mol/mg of TiO2, which is around 30% less than that of the cis-di(thiocyanato)bis(2,2′-bipyridyl-4,4′-dicarboxylate) ruthenium(II) complex. The black dye, when anchored to nanocrystalline TiO2 films achieves very efficient sensitization over the whole visible range extending into the near-IR region up to 920 nm, yielding over 80% incident photon-to-current efficiencies (IPCE). Solar cells containing the black dye were subjected to analysis by a photovoltaic calibration laboratory (NREL, U.S.A.) to determine their solar-to-electric conversion efficiency under standard AM 1.5 sunlight. A short circuit photocurrent density obtained was 20.5 mA/cm2, and the open circuit voltage was 0.72 V corresponding to an overall conversion efficiency of 10.4%.

Efficient panchromatic sensitization of nanocrystalline TiO2 films by a black dye based on a trithiocyanato-ruthenium complex

A black trithiocyanato-ruthenium(II) terpyridyl complex where the terpyridyl ligand is substituted by three carboxyl groups in 4,4′,4″-positions achieves very efficient panchromatic sensitization of nanocrystalline TiO2 solar cells over the whole visible range extending into the near-IR region up to 920 nm.