12123-74-9

Upstream product

• 109-99-9 tetrahydrofuran 
• 14040-11-0 tungsten hexacarbonyl 
• 16800-47-8 tricarbonyl-tris(acetonitrile)tungsten⁽⁰⁾ 
• 28984-20-5 bis(1,2-diphenylethylene-1,2-ditholate) nickel(IV) 

Downstream Products

• 426209-84-9 [(CH₂CH₃)4N][W(OC₆H₄-p-CN)(1,2-diphenylethylene-1,2-dithiolate)2] 
• 426209-95-2 [(CH₂CH₃)4N][W(OC₆H₄-p-NH₂)(1,2-diphenylethylene-1,2-dithiolate)2] 
• 426209-88-3 [(CH₂CH₃)4N][W(OC₆H₄-p-Br)(1,2-diphenylethylene-1,2-dithiolate)2] 
• 426209-93-0 [(CH₂CH₃)4N][W(OC₆H₄-p-CH₃)(1,2-diphenylethylene-1,2-dithiolate)2] 
• 426209-91-8 N(C₂H₅)4⁽¹⁺⁾*W(OC₆H₅)(S₂C₂(C₆H₅)2)2^(1-)=N(C₂H₅)4W(OC₆H₅)(S₂C₂(C₆H₅)2)2 

Relevant academic research and scientific papers

A DFT analyses for molecular structure, electronic state and spectroscopic property of a dithiolene tungsten carbonyl complex

Bis(dithiolene) tungsten carbonyl complex, W(S2C 2Ph2)2(CO)2 was successfully synthesized and the structure, frontier molecular orbital and optical properties of the complex were investigated theoretically using density functional theory calculations. The investigation started with a molecular structure construction, followed by an optimization of the structural geometry using generalized-gradient approximation (GGA) in a double numeric plus polarization (DNP) basis set at three different functional calculation approaches. Vibrational frequency analysis was used to confirm the optimized geometry of two possible conformations of [W(S2C2Ph2) 2(CO)2], which showed distorted octahedral geometry. Electronic structure and optical characterization were done on the ground states. Metal to ligand and ligand to metal charge transfer were dominant in this system.

Synthesis and reactivity aspects of the bis(dithiolene) chalcogenide series [WIVQ(S2C2R2)2] 2- (Q = O, S, Se)

An improved synthetic route to the previously reported dicarbonyl complexes [W(CO)2(S2C2R2)2] (R = Ph (1), Me (2)) has been developed via the thermal reaction of [W(CO)3(MeCN)3]