Research group

Spectroscopy, Spectrometry, and Structure

Single crystal x-ray diffraction facility

We develop and apply state-of-the-art tools and methods to provide chemical and structural insights into materials, biological and environmental systems

Part of Chemistry

About

Our group develops and applies advanced spectroscopy, spectrometry and diffraction methodologies in the fields of chemical, materials, biological sciences and medicine. 
 

We have a track record for developing theory, methodology, hardware, and open-source simulation tools. We have also authored well-received textbooks.

Our spectroscopic methods include:

  • femtosecond laser spectroscopy
  • non-linear optical and Raman techniques
  • Nuclear Magnetic Resonance (NMR)
  • terahertz and infrared spectroscopies
  • photoelectron spectroscopy
  • inelastic neutron scattering

Imaging experiments are performed by Raman microscopy, non-linear spectroscopy and magnetic resonance imaging (MRI). This enables chemical distributions and molecular changes to be mapped in complex and living systems and has particular applications in therapeutics, health monitoring and diagnostics.

Research in the Centre for Magnetic Resonance develops nuclear hyperpolarisation techniques, to significantly enhance NMR and MRI signals.

Much of our research features in-situ/operando NMR at non-ambient temperature and pressure. We perform femtosecond time-resolved scattering and spectroscopy measurements, on photochemical processes. This is achieved using conventional lab-based laser sources and international, free electron laser facilities. These techniques are supported by advanced simulation and optimisation software and numerical analysis tools. These are often developed in-house and have been adopted by users worldwide.

We host the National Crystallography Service (NCS). The NCS are international leaders in applying X-ray and electron diffraction to highly challenging structural characterisation.

Advanced studies include:

  • non-ambient and in-situ/operando single crystal and powder methods (temperature, pressure and controlled gas)
  • quantum crystallography
  • analysis of low-order materials, including liquids
  • probing local structure

Modern separation science and mass spectrometry methodologies research includes developing and applying hyphenated approaches. These combine mass spectrometry with the following techniques:

  • gas chromatography
  • ultra-high-performance liquid chromatography
  • ultra-high-performance supercritical fluid chromatography

These approaches tackle complex samples and matrices across various research areas including analytical science, energy and fuels (particularly oil-field chemistry), chemical biology, materials, synthetic organic chemistry and supramolecular chemistry.

Our methodological advances are leading to applications and commercial translation in materials, biology and medicine including developing new therapies, improving health monitoring and advancing diagnostics. 

People, projects and publications

People

Mr Murari Soundararajan

Research Fellow

Research interests

  • NMR, EPR, Dynamic Nuclear Polarisation
  • Instrumentation for magnetic resonance
  • Microwave technology
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Dr Niall Hanrahan

Research Fellow
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Dr Nicola Knight

Coordinator-PSDI
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Dr Oksana Bondar

Research Fellow
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Dr Raymond Whorley

Research Software Engineer (PSDI)
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Professor Russell Minns

Professor

Research interests

  • Photochemistry
  • Photoelectron Spectroscopy
  • Femtosecond Laser Spectroscopy

Accepting applications from PhD students

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Professor Simon Coles

Professor of Structural Chemistry

Research interests

  • The work we do is highly collaborative and multidisciplinary and can broadly be split into three overlapping themes:
  • 1) National Crystallography Service (NCS, www.ncs.ac.uk) & Physical Sciences Data-science Service (PSDS, www.psds.ac.uk) These national centres provide centralised facilities for UK researchers at a level that is beyond that achievable in any single institution. The NCS provides data collection and crystal structure analysis for the UK chemistry community. It also performs projects based on more advanced techniques, involving a dedicated team of experts employing cutting edge techniques and the use of very high-powered laboratory diffractometers or the UK synchrotron, Diamond. The PSDS provides national-level access to databases and is building infrastructure on top of these to drive and support data-driven approaches to scientific discovery.
  • 2) Structural Chemistry We have an interest in determining the mechanisms of solid-state reactions and transformations and use a variety of diffraction and physical characterisation methods for this. Other work focuses on discovering and investigating structure-property relationships, the determination of charge densities and their properties and 'value-added' quantum mechanical calculations to compute properties from crystal structures. We also collaborate with other disciplines in a number of areas such as macromolecular crystallography (Biology), crystal growth (biology) and CT imaging (Engineering).

Accepting applications from PhD students

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Dr Simon Lane

Research Fellow
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Professor Sumeet Mahajan MSc, MTech, PhD, FHEA, FRSC

Prof of Molecular BioPhotonics & Imaging

Research interests

  • New chemical biology methods based on Raman spectroscopy and label-free imaging
  • Methodology and device development for commercialisation and clinical translation
  • Neuro-diagnostics and early detection of dementia and neurodegenerative diseases

Accepting applications from PhD students

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Dr Thomas Robertson

Research Fellow in MMR

Research interests

  • NMR
  • Microfabrication
  • Hardware Development
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As a research technical professional in chromatography and mass spectrometry, I provide critical support in experimental design and data interpretation for colleagues in the School of Chemistry and Chemical Engineering
Senior Experimental Officer

Related research institutes, centres and groups

Related research institutes, centres and groups

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Get in touch

If you have a question for the group or the school, please contact us using the email addresses below

Group administration

School of Chemistry and Chemical Engineering