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Interpretation of the Crystal Structures of Organometallic Compounds

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  • Full or part time
    Prof S Parsons
  • Application Deadline
    No more applications being accepted
  • Funded PhD Project (UK Students Only)
    Funded PhD Project (UK Students Only)

Project Description

A fully-funded PhD studentship is available to work on a collaborative project held between The University of Edinburgh and The Cambridge Crystallographic Data Centre to work on the structural chemistry of organometallic compounds.


Methods for interpretation of molecular crystal structures have advanced considerably in the past decade. While visualisation of intermolecular interactions can be achieved in a matter of seconds, it is increasingly common to evaluate intermolecular interaction energies using quantum mechanical or semi-empirical methods. This progress has greatly facilitated the growth of areas such as polymorphism, crystal engineering and extreme conditions research, though it is also notable that its impact has been felt almost exclusively in work on organic systems. In this studentship we will exploit developments made in organic solid-state research to coordination and organometallic chemistry, exploring the influence of intermolecular interactions on the materials properties of coordination and organometallic compounds.

The project is a collaboration with the Cambridge Crystallographic Data Centre, which compiles and maintains the Cambridge Crystallographic Database and develops software (such as MERCURY) for interrogation of the database and interpretation of structural data. More details on the CCDC and its activities are available at http://www.ccdc.cam.ac.uk/pages/Home.aspx.

The project is fully-funded for 36-months starting in September 2016, covering UK/EU tuition fees and a stipend at the EPSRC standard rate (in the region of £14,200 in academic year 2016-17).


Informal enquiries should be addressed to [Email Address Removed], with applications made through the EUCLID system as outlined at http://www.chem.ed.ac.uk/studying/postgraduate-research/applications-and-entry-requirements. Applicants must have a 1st class or an upper 2nd class honours degree (or equivalent) and meet the EPSRC residency requirements (https://www.epsrc.ac.uk/skills/students/help/eligibility/), which restrict awards to UK and EU nationals.

The deadline for applications is 31 January 2016 and applications will be reviewed as they are received.

How good is research at University of Edinburgh in Chemistry?
(joint submission with University of St Andrews)

FTE Category A staff submitted: 43.30

Research output data provided by the Research Excellence Framework (REF)

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