Mössbauer and DFT study of the ferromagnetically coupled diiron(IV) precursor to a complex with an Fe ^IV ₂O ₂ diamond core

Keyphrases

• Diiron 100%
• Density Functional Theory 100%
• Fe(IV) 100%
• Mssbauer 100%
• Diamond Core 100%
• Electric Field Gradient 50%
• Ferromagnetic Behavior 50%
• Two-site 25%
• Synthetic Model 25%
• Coupled System 25%
• Hydrogen Peroxide 25%
• System Yield 25%
• Exchange-coupled 25%
• Fe(III) 25%
• Density Functional Calculations 25%
• Dimethyl 25%
• EXAFS Study 25%
• Methylamine 25%
• Bridging Oxygen 25%
• Soluble Methane Monooxygenase 25%
• Tris 25%
• 2-complex 25%
• Applied Magnetic Field 25%
• Large Components 25%
• Magnetic Orbital 25%
• Hypochlorous Acid 25%
• Field Spectra 25%
• Isomer Shift 25%
• Gradient Shift 25%
• Unpaired Electrons 25%
• Zero-field Splitting Parameters 25%
• Orbital Structure 25%

Chemistry

• Electric Field Gradient 100%
• Density Functional Theory Study 100%
• Methane 50%
• Density Functional Theory 50%
• Tris 50%
• Zero Field Splitting 50%
• Monooxygenase 50%
• Extended X Ray Absorption Fine Structure Spectroscopy 50%
• Oxo Group 50%
• Magnetic Field 50%
• Density Functional Theory 50%