Publication | Open Access
Significance of the electron-density of molecular fragments on the properties of manganese(<scp>iii</scp>) β-diketonato complexes: an XPS and DFT study
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Citations
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References
2017
Year
Materials ScienceInorganic ChemistryXps Binding EnergiesGroup ElectronegativityEngineeringNatural SciencesCoordination ComplexChemical BondMolecular FragmentsMolecular ComplexQuantum ChemistryChemistryDft StudyElectronic StructureDft StudiesBiophysicsβ-Diketonato ComplexesInorganic Compound
The group electronegativity of the R-groups of the ligand influences the XPS binding energies and the amount of charge transferred in the Mn 2p<sub>3/2</sub>photoelectron lines. DFT studies illustrated different Jahn–Teller elongation bond stretch isomers.
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