25704-06-7

Basic information

• Product Name: (C₂₀H₈N₄(C₆H₅)4)FeC(CN)3
• CAS NO: 25704-06-7
• Molecular Weight: 758.644
• Mol File: 25704-06-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (C₂₀H₈N₄(C₆H₅)4)FeC(CN)3(CAS DataBase Reference)
• NIST Chemistry Reference: (C₂₀H₈N₄(C₆H₅)4)FeC(CN)3(25704-06-7)
• EPA Substance Registry System: (C₂₀H₈N₄(C₆H₅)4)FeC(CN)3(25704-06-7)

Safety Data

• Hazardous Substances Data: 25704-06-7(Hazardous Substances Data)

Upstream product

• 12582-61-5 ((5,10,15,20-tetraphenylporphyrinato)iron(III))2O 
• 34171-69-2 potassium tricyanomethanide 

Relevant articles and documents

Multinuclear magnetic resonance spectroscopy of spin-admixed S = 5/2, 3/2 iron(III) porphyrins

A variety of synthetic iron(III) porphyrin complexes (FeIIIPorX, X = SO3CF3-, ClO4-, and C(CN)3-) were examined with multinuclear NMR spectroscopy (1H, 13C, 19F, and 35Cl). Deviations from NMR Curie law behavior, diminished magnetic moments, and characteristic ESR g = 4 values support previous evidence for the quantum-mechanical admixture of S = 5/2 and S - 3/2 states. NMR studies of titrations with the corresponding tetrabutylammonium salts and dipolar shift calculations show the ligands are coordinated rather than ion paired in solution. Solvent studies indicate more S = 5/2 character is present in aromatic solvents than in chlorinated solvents. Although the tricyanomethanide complex is thought to exhibit a "pure" S = 3/2 state in crystalline form, solution measurements are consistent with spin admixture.