Project 1:
3D electron diffraction in high nuclearity coordination chemistry
About the Project
A PhD studentship is available in the groups of Simon Parsons, Euan Brechin and Fabio Nudelman (School of Chemistry, The University of Edinburgh; http://www.crystal.chem.ed.ac.uk
Project Summary
The emerging technique of 3D electron diffraction enables crystal structures to be determined from crystalline samples with dimensions of less than 500 nm.1 Suitable crystals may be grown in a matter of minutes,2,3 avoiding the need for long crystallization experiments, and providing deep insight into the way crystals form and evolve as a function of time.2 This has the potential to revolutionize the way reactions are studied, especially in Inorganic Chemistry.
Coordination complexes of the transition metals are at the forefront of research in diverse scientific disciplines, including porous materials (e.g. MOFs for clean energy), nanoparticles (e.g. magnetite for MR imaging and therapy), thermoelectrics (e.g. ferromagnetic materials for energy harvesting), spintronics (e.g. spin transport in metal oxides), and magnetism (e.g. information storage). Control of the nuclearity and the ‘solid form’, i.e. the polymorph, morphology and crystallinity of the material, is of critical importance in these applications.
The aim of this project is to apply new electron diffraction methods to coordination chemistry. Crystals of coordination complexes will be grown rapidly in microdrops taken directly from reaction mixtures; crystal structures will be determined by electron diffraction, with simultaneous imaging by transmission electron microscopy. Crystallisation times will be varied to reveal how the formation of different complexes changes over time and how crystalline forms develop, to capture the very earliest stages of crystal formation.
This multi-disciplinary studentship will be of duration 3 years and based in The School Chemistry and at The Centre for Science at Extreme Conditions (https://www.csec.ed.ac.uk/) at The University of Edinburgh. The project is fully funded, covering UK fees and a stipend at the EPSRC standard rate (starting at £17,668), with opportunities for undergraduate teaching. The post involves a mixture of practical and computational work, suiting a candidate with a background in Chemistry, Physics or Materials Science and an undergraduate degree classification of 1st or 2:1 (or equivalent). Candidates should satisfy UKRI eligibility criteria.
In the first instance, the initial application (including cover letter and CV) should be directed to: Professor Simon Parsons, School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, UK. Email: S.Parsons@ed.ac.uk
The position will remain open until filled.
IMPORTANT
Before Submitting your cover letter and CV, please complete the online School of Chemistry Equality, Diversity & Inclusion Form 2023. The form will automatically generate a unique “Receipt Number” that you MUST include in your cover letter.
Equality and Diversity
The School of Chemistry holds a Silver Athena SWAN award in recognition of our commitment to advance gender equality in higher education. The University is a member of the Race Equality Charter and is a Stonewall Scotland Diversity Champion, actively promoting LGBT equality. The University has a range of initiatives to support a family friendly working environment. See our University Initiatives website for further information. University Initiatives website: https://www.ed.ac.uk/equality-diversity/help-advice/family-friendly
Funding Notes
The studentship is fully funded for 36 months by the Leverhulme Trust and University of Edinburgh and covers tuition fees and an annual stipend (starting at £17,668 per annum) for a candidate satisfying EPSRC residency criteria. View Website
References
1. https://journals.iucr.org/m/issues/2021/06/00/yc5034/yc5034.pdf
2. https://journals.iucr.org/m/issues/2020/01/00/yc5021/yc5021.pdf
3. https://pubs.acs.org/doi/10.1021/acscentsci.9b00394
Project 2:
Breaking the 10 GPa 'Pressure Barrier' in Organic Solids
About the Project
A fully-funded PhD studentship is available to work on a collaborative project held at The Centre for Science at Extreme Conditions at The University of Edinburgh on the effect of extreme pressure on molecular materials.
Background
Although use of high pressure to explore polymorphism in molecular solids is increasingly common, only 5% of high-pressure molecular crystal structures have been determined above 10 GPa; beyond 20 GPa, precise data are available only for benzene and threonine. Void space in molecular crystal structures approaches zero above 10 GPa, forcing pressure to be accommodated by covalent bonds and intermolecular interactions. Even though structural data for moderately complex organic compounds beyond this key pressure point are essentially lacking, they are critical for determining the mechanical characteristics of both inter- and intra-molecular bonds. This project will address this important gap in our knowledge by examining the effect of very high pressures on a series of organic materials featuring the key synthons of crystal engineering: hydrogen bonds, dispersion interactions and halogen bonds.
Crystal structures will be determined using state-of-the-art equipment for extreme conditions research, with diffraction data collected in-house and at synchrotron sources. Other techniques include vibrational spectroscopy and periodic density functional theory. The image shows a typical sample in this area of research, crystals grown in situ in a diamond anvil cell ready for study by X-ray diffraction or Raman spectroscopy. The pressure is 1.2 GPa.
Funding Notes
This multi-disciplinary studentship will be of duration 3.5 years and based in The Schools of Physics & Astronomy (with Dr Dominique Laniel) and Chemistry (with Prof. Simon Parsons) at The Centre for Science at Extreme Conditions (View Website). The project is fully funded, covering UK fees and a stipend at the EPSRC standard rate (starting at £17,668), with opportunities for undergraduate teaching. The post involves a mixture of practical and computational work, suiting a candidate with a background in Chemistry, Physics or Materials Science. Due to funding restrictions this is open to UK students only.
References
Informal enquiries should be addressed to Dominique.Laniel@ed.ac.uk or S.Parsons@ed.ac.uk, with applications made through the EUCLID system as outlined at https://www.star.euclid.ed.ac.uk/public/urd/sits.urd/run/siw_ipp_lgn.log.... Applicants must have a 1st class or an upper 2nd class honours degree (or equivalent) and meet the EPSRC eligibility criteria: https://www.epsrc.ac.uk/skills/students/help/eligibility/. The position will remain open until it is filled.