Dr Andy Kerridge

Dr Andy Kerridge

Address: Room 318, Department of Chemistry, U.C.L
Phone No: +44 (0)20 7679 5814
Extension: 25814
Dr Andy Kerridge

Research areas of interest include:

  • Relativistic quantum chemistry
  • Fundamental f-element chemistry
  • Organometallic macrocycles
  • Nuclear waste management and remediation

We perform state-of-the-art ab initio quantum chemical calculations in order to understand the complexation of the f-elements, comprising the lanthanides and actinides. The very weak crystal fields and strong relativistic effects associated with such complexes provide a significant challenge to quantum chemical methodologies, and we employ the complete-active-space self-consistent-field (CASSCF) approach in order to overcome the challenges. We investigate the fundamentals of f-element chemistry in order to better understand oxidation state, bond covalency, and magnetic properties. We also consider transition metal analogues, and together these complexes have potential applications in the nuclear power, solar energy, and health industries.

Selected Publications

  • A. Kerridge, 'f-orbital covalency in the actinocenes (An=Th-Cm): multiconfigurational studies and topological analysis', RSC Advances 24:12078, 2014. DOI:10.1039/c3ra47088a
  • A. Kerridge, 'Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study', Dalton Transactions 42:16428, 2013. DOI:10.1039/c3dt52279b
  • E. Hashem, et al., 'Emission spectroscopy of uranium(IV) compounds: a combined synthetic, spectroscopic and computational study', RSC Advances 3:4350, 2013. DOI:10.1039/c3ra22712j
  • A. Kerridge and N. Kaltsoyannis, 'Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution', Chemistry: A European Journal 17:5060, 2011. DOI:10.1002/chem.201003226
  • A. Kerridge and N. Kaltsoyannis, 'Are the ground states of the later actinocenes multiconfigurational? All-electron spin-orbit coupled CASPT2 calculations on An(C8H8) (An = Th, U, Pu, Cm)', Journal of Physical Chemistry A 113:8737, 2009. DOI: 10.1021/jp903912q
  • A. Kerridge, R. Coates, N. Kaltsoyannis, 'Is cerocene really a Ce(III) compound? All-electron spin-orbit coupled CASPT2 calculations on M(C8H8) (M = Th, Pa, Ce)' Journal of Physical Chemistry A 113:2896, 2009. DOI: 10.1021/jp807804w
  • S. Heutz, C. Mitra, W. Wu, A. J. Fisher, A. Kerridge, A. M. Stoneham, A. H. Harker, J. Gardener, H. H. Tseng, T. S. Jones, C. Renner, G. Aeppli , 'Molecular thin films: a new type of magnetic switch', Advanced Materials 19:3618, 2007. DOI: 10.1002/adma.200701458
  • M. J. Shaw, P. R. Briddon, J. P. Goss, M. J. Rayson, A. Kerridge, A. H. Harker, and A. M. Stoneham, 'Importance of quantum tunneling in vacancy-hydrogen complexes in diamond', Physical Review Letters 95:105502, 2004. DOI: 10.1103/PhysRevLett.95.105502