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Computational photochemistry/Vibrational control in transition metal complexes


Department of Chemistry

About the Project

Controlling the outcome of chemical reactions is arguably one of the holy grails of chemical physics. Recent experiments1 have shown that it is possible to direct a photophysical process using infrared light, taking a step towards achieving this goal. We are investigating the origins of this effect with a view of predicting the outcome of such experiments. In your project you would develop potential energy surfaces and use them in MCTDH calculations to investigate the dynamics of these processes. Simultaneously, you will also be doing speculative calculations on proposed complexes to ascertain their ability to be controlled vibrationally to guide the experimental work.

Funding Notes

This is a self-funded project. The applicant should have or expect to gain at least an upper second class degree, or equivalent overseas qualification, in a relevant subject.

If you have the correct qualifications and access to your own funding, either from your home country or your own finances, your application to work with this supervisor will be considered.

References

1M. Delor, T. Keane, P. A. Scattergood, I. V. Sazanovich, G. M. Greetham, M. Towrie, A. J. H. M. Meijer, and J. A. Weinstein, Nat. Chem. 7, 689-695 (2015).

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