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Research interests

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.

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

Lanthanoid Series Elements Chemical Compounds
Ligands Chemical Compounds
Magnets Chemical Compounds
Paramagnetic resonance Chemical Compounds
Magnetic susceptibility Chemical Compounds
Molecules Chemical Compounds
Ions Chemical Compounds
Anions Chemical Compounds

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Research Output 2010 2018

7 Citations (Scopus)

A Redox-Active Bridging Ligand to Promote Spin Delocalization, High-Spin Complexes, and Magnetic Multi-Switchability

Ma, X., Suturina, E. A., De, S., Négrier, P., Rouzières, M., Clérac, R. & Dechambenoit, P., 25 Jun 2018, In : Angewandte Chemie - International Edition. 57, 26, p. 7841-7845 5 p.

Research output: Contribution to journalArticle

Exchange coupling
Ground state
Magnetic properties
6 Citations (Scopus)

Chiral probes for α1-AGP reporting by species-specific induced circularly polarised luminescence

Shuvaev, S., Suturina, E. A., Mason, K. & Parker, D., 21 Mar 2018, In : Chemical Science. 9, 11, p. 2996-3003 8 p.

Research output: Contribution to journalArticle

Open Access
Lanthanoid Series Elements
Prescription Drugs

Cr(pyrazine)2(OSO2CH3)2: A two-dimensional coordination polymer with an antiferromagnetic ground state

Perlepe, P., Oyarzabal, I., Pedersen, K. S., Negrier, P., Mondieig, D., Rouzières, M., Hillard, E. A., Wilhelm, F., Rogalev, A., Suturina, E. A., Mathonière, C. & Clérac, R., 1 Oct 2018, In : Polyhedron. 153, p. 248-253 6 p.

Research output: Contribution to journalArticle

coordination polymers
Ground state
6 Citations (Scopus)

Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes

Mason, K., Harnden, A. C., Patrick, C. W., Poh, A. W. J., Batsanov, A. S., Suturina, E. A., Vonci, M., McInnes, E. J. L., Chilton, N. F. & Parker, D., 10 Jul 2018, In : Chemical Communications. 54, 61, p. 8486-8489 4 p.

Research output: Contribution to journalArticle

Lanthanoid Series Elements
Rare earth elements
Nuclear magnetic resonance
3 Citations (Scopus)

Lanthanide-induced relaxation anisotropy

Suturina, E. A., Mason, K., Geraldes, C. F. G. C., Chilton, N. F., Parker, D. & Kuprov, I., 8 Jun 2018, In : Physical Chemistry Chemical Physics. 20, 26, p. 17676-17686 11 p.

Research output: Contribution to journalArticle

Open Access
Lanthanoid Series Elements
Relaxation processes
nuclear spin