The theoretical and experimental electron charge and spin density is measured and calculated in metal organic networks (based on S=½ or S=1 metal ions).
These studies enable full comprehension of the magnetic exchange mechanisms undergoing in these systems, where the magnetic network may or may not coincide with the structural network.

This work is carried out in the group of PD Dr. Piero Macchi.

References:

• L. H. R. Dos Santos, A. Lanza, A. M. Barton, J. Brambleby, W. J. A. Blackmore, P. A. Goddard, F. Xiao, R. C. Williams, T. Lancaster, F. L. Pratt, S. J. Blundell, J. Singleton, J. L. Manson, P. Macchi;
  "Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets"
  J. Am. Chem. Soc., 2016, 138(7), 2280-2291; doi:10.1021/jacs.5b12817.
• J. Brambleby, J. L. Manson, P. A. Goddard, M. B. Stone, R. D. Johnson, P. Manuel, J. A. Villa, C. M. Brown, H. Lu, S. Chikara, V. Zapf, S. H. Lapidus, R. Scatena, P. Macchi, Y.-S. Chen, L.-C. Wu, J. Singleton;
  "Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S=1 quantum antiferromagnet"
  Phys. Rev. B, 2017, 95(13), 134435/1-12; doi:10.1103/PhysRevB.95.134435.