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Vibronic and Exchange Interactions in Non-Kramers Transition Metal Compounds

English title Vibronic and Exchange Interactions in Non-Kramers Transition Metal Compounds
Applicant Tregenna-Piggott Philip Louis
Number 109243
Funding scheme Project funding
Research institution Paul Scherrer Institut
Institution of higher education Paul Scherrer Institute - PSI
Main discipline Physical Chemistry
Start/End 01.10.2006 - 30.09.2009
Approved amount 146'120.00
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Keywords (6)

Neutron Scattering; High-Field-EPR; Ligand Field Theory; Electron-Phonon; Coupling; Exchange Interactions

Lay Summary (English)

Lay summary
Compounds formed from transition metals are common throughout biology and material science. One of the key objectives of the physical sciences is to probe their chemical and physical properties by experimental measurements, and develop theoretical models to interpret the data. Spectroscopic investigations into the detailed properties of magnetic materials have traditionally focused on transition metals with an odd number of unpaired electrons. It is only recently that techniques have been developed to probe the energy levels of compounds with an even number of unpaired electrons. We have taken advantage of these techniques to gain a better understanding of the structure and bonding of a range transition metal complexes. The highlight of this project has been our work on a catalytically active manganese compound in which the manganese cation is in the oxidation state of +3. Spectroscopic measurements using the techniques of inelastic neutron scattering and high-field Electron Paramagnetic Resonance have characterised the ground-state electronic structure to unprecedented precision. The results serve as a benchmark against which state-of-the-art theoretical techniques should be compared. In a separate paper we have presented a simple theoretical model to help predict the relative bond lengths of bioinorganic manganese(III) compounds based on a knowledge of the co-ordinating ligands.
Direct link to Lay Summary Last update: 21.02.2013

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Associated projects

Number Title Start Funding scheme
66789 Experimental and Theoretical Investigation into the Electronic Structure of non-Kramers transition metal complexes 01.05.2002 Project funding
121246 Acquisition of fluorinated mica crystals for the backscattering instrument MARS 01.04.2009 R'EQUIP