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Personal profile

Research interests

Transition metal complexes catalyse many reactions important in synthetic organic and organometallic chemistry. However, we rarely have a quantitative understanding of what will happen when we change the input variables (ligands, substrates, experimental conditions) in a catalytic reaction and new catalysts are usually discovered by chance or after extensive experimental screening and optimisation of the reaction conditions.

Thanks to the development of increasingly powerful computers, the detailed theoretical study of synthetically relevant organometallic chemistry now lies within our reach. Modern quantum chemistry can be used to investigate the mechanism of reactions directly and allows us to use the computer to test the effect of changing input variables. The results of this computational work can be compiled into accessible databases, which can then be analysed to make predictions for novel catalysts. This enables us, for any given catalyst, to determine the optimum set of variables to achieve a desired outcome.

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Projects

CHEM ROYAL SOCIETY OF-972999

Fey, N.

28/07/16 → …

Project: Research

Supervised learning to support the optimisation of chemical reactions

Fey, N. & Swallow, B. T.

17/04/1731/07/17

Project: Research

Research Output

  • 57 Article (Academic Journal)
  • 5 Review article (Academic Journal)
  • 3 Comment/debate (Academic Journal)

Stable Fluorophosphines: Predicted and Realized Ligands for Catalysis

Fey, N., Garland, M., Hopewell, J. P., McMullin, C. L., Mastroianni, S., Orpen, A. G. & Pringle, P. G., Feb 2012, In : Angewandte Chemie - International Edition. 51, 1, p. 118-122 5 p.

Research output: Contribution to journalArticle (Academic Journal)

33 Citations (Scopus)

Expansion of the ligand knowledge base for chelating P,P-donor ligands (LKB-PP)

Jover Modrego, J., Fey, N., Harvey, J. N., Lloyd-Jones, G. C., Orpen, A. G., Owen-Smith, G. J. J., Murray, P., Hose, DRJ., Osborne, R. & Purdie, M., 13 Aug 2012, In : Organometallics. 31, 15, p. 5302-5306 5 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
  • 37 Citations (Scopus)
    504 Downloads (Pure)

    Expansion of the ligand knowledge base for monodentate P-donor ligands (LKB-P)

    Jover, J., Fey, N., Harvey, JN., Lloyd-Jones, GC., Orpen, AG., Owen-Smith, GJJ., Murray, P., Hose, DRJ., Osborne, R. & Purdie, M., 2010, In : Organometallics. 29, 23, p. 6245 - 6258

    Research output: Contribution to journalArticle (Academic Journal)

    74 Citations (Scopus)

    Activities

    Sanjib Patra

    Charl F J Faul (Host), , Ian Manners (Host), , Natalie Fey (Host), & Simon Burbidge (Host)

    23 Jul 201930 Jul 2019

    Activity: Hosting a visitor typesHosting an academic visitor

    Computational Discovery and Optimisation of Organometallic Catalysts

    Natalie Fey (Speaker)

    Jul 2015

    Activity: Participating in or organising an event typesInvited talk

    Computational Discovery and Optimisation of Organometallic Catalysts

    Natalie Fey (Speaker)

    Nov 2015

    Activity: Participating in or organising an event typesInvited talk