Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate

• CAS: 60804-74-2
• Catalog Number: ACM60804742-7
• Category: Main Products
• Molecular Weight: 859.55
• Molecular Formula: C30H24F12N6P2Ru
• Description: Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate (Ru(bpy)3(PF6)2) is a conducting polymer that is majorly used as an active layer in electrochemical devices. It facilitates the formation of highly efficient and low voltage devices. It shows an external quantum efficiency of 0.35 and 400 cd/m2 at 3V.
• Synonyms: Ru(bpy)3(PF6)2,Ruthenium-tris(2,2'-bipyridyl) dihexafluorophosphate
• IUPAC Name: 2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
• SMILES: [Ru++].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1ccc(nc1)-c2ccccn2.c3ccc(nc3)-c4ccccn4.c5ccc(nc5)-c6ccccn6
• InChI: 1S/3C10H8N2.2F6P.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2,KLDYQWXVZLHTKT-UHFFFAOYSA-N
• InChI Key: KLDYQWXVZLHTKT-UHFFFAOYSA-N
• Melting Point: >300 °C
• Solubility: core: ruthenium; reaction type: Photocatalysis; reagent type: catalyst
• Appearance: Solid
• Application: Ru(bpy)3(PF6)2 may be used as a conjugating polymer in the development of light emitting electrochemical cell based devices such as light emitting diodes (LEDs). It is also used as a high-efficiency triplet emitter for OLED/Sensor research.
• Storage: room temp
• Assay: 0.97
• Complexity: 183
• Covalently-Bonded Unit Count: 6
• Exact Mass: 860.038947g/mol
• Formal Charge: 0
• H-Bond Acceptor: 20
• H-Bond Donor: 0
• Heavy Atom Count: 51
• Impurity Content: (Material is not fluorescence active.)
• MDL Number: MFCD11042502
• Monoisotopic Mass: 860.038947g/mol
• Packaging: 1 g in glass bottle
• Quality Level: 100
• Rotatable Bond Count: 3

Case Study

Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate as Highly Stable Photoluminescent Emitter for Plasmonic Nanopatch Antennas

Gritsienko, A. V., et al. Journal of Physics D: Applied Physics 52.32 (2019): 325107.

Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate serves as a highly stable photoluminescent emitter whose metal-to-ligand charge transfer excited state, formed with near-unity quantum efficiency, drives radiative enhancement studies in plasmonic nanopatch antennas (NPAs) for nanophotonics.
Experimental Protocol: A 30 nm emitter layer is spin-coated at 2000 rpm onto aluminum (100 nm) substrates bearing a 3 nm aluminum oxide spacer, after which silver nanoparticles are drop-cast from solutions of 0.002 mM (hexagonal nanoprisms) and 0.02 mM (pentagonal nanorods). Luminescence decays are recorded by time-correlated single photon counting under 376 nm pulsed excitation at 30 kW/cm², and structures are modeled by finite element simulations.
Performance Evaluation: The emitter absorbs around 450 nm and emits at 620 nm with a free lifetime of about 850 ns, which shortens to 7 ns inside the NPA. Average Purcell factors reach 100 for pentagonal and 120 for hexagonal silver nanoparticles, and finite element simulations predict local maxima up to 10³ near particle corners with radiation efficiencies of 0.1-0.4. Luminescence enhancement factors of 16 and 35 are measured experimentally, and radiation maxima are directed at roughly 50 degrees to the antenna surface, supporting ultrafast single-photon micro-optical devices.

Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate as Visible-Light Photocatalyst for Photocascade Synthesis of Fused β-Carbolines

Chandrasekhar, D., et al. Organic letters 18.12 (2016): 2974-2977.

Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate acts as a dual-function visible-light photocatalyst that combines photosensitization and photoredox catalysis, converting 1,2,3,4-tetrahydro-β-carbolines and α-keto vinyl azides into strained fused β-carbolines for medicinal chemistry.
Experimental Protocol: The model reaction couples 0.2 mmol of each substrate in acetonitrile (5 mL) using 1 mol% catalyst and 1.0 mmol tert-butyl hydroperoxide under a 17 W white LED positioned about 10 cm away, stirred for 24 hours; the transformation is also conducted in a photochemical flow microreactor with perfluoroalkoxy tubing (0.76 mm inner diameter, 15 m length, 6.8 mL volume).
Performance Evaluation: The reaction requires both light and catalyst, and the optimized batch conditions deliver the pentacyclic product in 65% yield; eighteen derivatives are obtained in 60-71% yields with high regio- and diastereoselectivity, forming one C-C and two C-N bonds, while the key 2H-azirine intermediate is generated in 85% yield. In flow, the yield rises to 81% within a 43 minute residence time (productivity 3.2 mg/min), versus 36% in batch over the same period. The strategy shortens reaction time from 24 hours to 43 minutes and expands access to biologically relevant β-carboline libraries.

Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate as Hole-Transporting Material for Solid-State Dye-Sensitized Solar Cells

Leandri, Valentina, et al. ChemPhysChem 20.4 (2019): 618-626.

Tris(2,2'-bipyridine)ruthenium(II) hexafluorophosphate functions as a hole-transporting material whose triplet metal-to-ligand charge transfer excited state regenerates oxidized organic sensitizers, advancing solid-state dye-sensitized solar cells.
Experimental Protocol: Mesoporous titanium dioxide films are sintered at 450 degrees Celsius for 30 minutes, sensitized with LEG4 or MKA253 dye baths (0.15 mM, 1:1 acetonitrile:t-butanol) for 14 hours, and then covered with a spin-coated layer containing 10 mM of the complex, 200 mM 4-tert-butylpyridine and 20 mM LiTFSI in acetonitrile; a silver back contact completes the device, which is evaluated under simulated AM 1.5G illumination.
Performance Evaluation: The complex absorbs at 452 nm (metal-to-ligand charge transfer) and emits at 613 nm. Devices with MKA253 deliver a short-circuit current density of 4.39 mA/cm², an open-circuit voltage of 680 mV and 1.2% power conversion efficiency, whereas LEG4-based cells reach 1.1% with 3.10 mA/cm² and 795 mV, while dye-free devices reach only 0.01%. Time-resolved photoluminescence reveals a fast 25 ns decay component on titanium dioxide, attributed to excited-state electron transfer, with Stern-Volmer quenching constants of 48 M^-1 on TiO₂ and 21 M^-1 on ZrO₂. Excited-state dye regeneration is thermodynamically favorable by 137-156 kJ/mol, demonstrating a viable regeneration pathway for photovoltaic devices.