Personal details |
Name |
Dr Natalie
Fey |
Job title |
Senior Lecturer
|
Department |
School of Chemistry University of Bristol
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Personal web page |
http://www.bris.ac.uk/chemistry/people/natalie-fey/overview.html |
Contact details |
This expert can be contacted via the University of Bristol Public Relations
Office.
To help us deal with your request, please mention the Directory of Experts
when contacting the Public Relations Office.
work+44 (0)117 331 8092
email: public-relations@bristol.ac.uk
|
Qualifications |
B.Sc.(Keele), Ph.D.(Keele) |
Professional details |
Keywords |
transition metal complexes
organometallic chemistry
synthetic organic chemistry
catalytic reactions
catalysts
synthetically relevant organometallic chemistry
quantum chemistry
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Areas of expertise |
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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Languages (other than English) |
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