Projects per year
Our research is focused on theoretical description of magnetic and optical properties of metal complexes. We employ quantum chemistry and spin dynamics theory to rationalise connection between structure and properties of paramagnetic molecules. Currently there are three collaborative projects in the group:
- MRI contrast agents. We work together with groups from Durham and Manchester to develop new property responsive probes based on non-Gd complexes for MRI that provide maps of local temperature and pH on top of the standard scans. In particular we are interested in evaluating periodic trends in lanthanide series and ligand modifications that can enhance sensitivity of the probes.
- Structural biology tags. Paramagnetic metal complexes are routinely used in structural biology to gain additional information on protein structure and dynamics. We are developing theoretical models and tools for paramagnetic NMR analysis including theoretical models for paramagnetic shift and paramagnetic relaxation enhancement for systems with large magnetic anisotropy.
- Molecular magnets. We work on both fundamental aspects of ligand field theory that connects structure of metal complexes with their magnetic properties and simulation of bulk magnetic properties of single-molecule magnets as well as extended 2D and 3D frameworks.
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3/01/23 → 2/01/25
Project: Research council
3/08/20 → 3/08/23
Project: Research council
Paramagnetic Relaxation Agents for Enhancing Temporal Resolution and Sensitivity in Multinuclear FlowNMR SpectroscopyBara Estaun, A., Harder, M. K., Lyall, C. L., Lowe, J. P., Suturina, E. & Hintermair, U., 17 May 2023, (E-pub ahead of print) In: Chemistry - A European Journal. e202300215.
Research output: Contribution to journal › Article › peer-reviewOpen Access
Extreme g-tensor anisotropy and its insensitivity to structural distortions in a family of linear two-coordinate Ni(I) bis-N-heterocyclic carbene complexesBlackaby, W. J. M., Harriman, K. L. M., Greer, S. M., Folli, A., Hill, S., Krewald, V., Mahon, M. F., Murphy, D. M., Murugesu, M., Richards, E., Suturina, E. & Whittlesey, M. K., 24 Jan 2022, In: Inorganic Chemistry. 61, 3, p. 1308-1315 8 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile6 Citations (SciVal)4 Downloads (Pure)
Toward Opto-Structural Correlation to Investigate Luminescence Thermometry in an Organometallic Eu(II) ComplexDiaz-Rodriguez, R. M., Gálico, D. A., Chartrand, D., Suturina, E. A. & Murugesu, M., 19 Jan 2022, In: Journal of the American Chemical Society. 144, 2, p. 912-921 10 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile24 Citations (SciVal)29 Downloads (Pure)
A high‐resolution view of the coordination environment in a paramagnetic metalloprotein from its magnetic propertiesRavera, E., Gigli, L., Suturina, E. A., Calderone, V., Fragai, M., Parigi, G. & Luchinat, C., 25 Jun 2021, In: Angewandte Chemie. 133, 27, p. 15087-15093
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile26 Downloads (Pure)
Easy-plane to easy-axis anisotropy switching in a Co(ii) single-ion magnet triggered by the diamagnetic latticeNehrkorn, J., Valuev, I. A., Kiskin, M. A., Bogomyakov, A. S., Suturina, E. A., Sheveleva, A. M., Ovcharenko, V. I., Holldack, K., Herrmann, C., Fedin, M. V., Schnegg, A. & Veber, S. L., 14 Aug 2021, In: Journal of Materials Chemistry C. 9, 30, p. 9446-9452 7 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile6 Citations (SciVal)48 Downloads (Pure)