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

Dr Aileen Day

Senior Research Fellow DataEngineer PSDI

Research interests

  • Research in the physical sciences;
  • Computer modelling, programming, databases
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Dr Alice Oakley PhD, MChem, AMRSC

Research Fellow

Research interests

  • Solid State Nuclear Magnetic Resonance
  • Materials Chemistry
  • Materials Characterisation
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Dr Anna Crisford

Research Fellow in Biomedical Microscopy
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Mr Bonifac Legrady

Senior Research Assistant
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Dr Dipanjan Bhattacharya

Senior Research Fellow
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Mr George Bacanu

Senior Research Fellow

Research interests

  • - Spectroscopy of fullerenes, endofullerenes and endofullerides.
  • - Dynamics of confined atomic and molecular species revealed by spectroscopic methods.
  • -  Nuclear Magnetic Resonance, Neutron scattering, Infra-red & THz spectroscopy.
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Dr Giuseppe Pileio

Associate Professor

Research interests

  • NMR Methodology developments
  • Long-lived Nuclear Spin States
  • Diffusion NMR

Accepting applications from PhD students

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Dr Graham Tizzard

Operations Manager, Nat Crystallography
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Professor Ilya Kuprov FRSC

Professor of Physics

Accepting applications from PhD students

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Mr James Read

Research Fellow
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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