Facilities

Our cutting-edge techniques are developing high pressure and high temperature methods to tackle a full range of challenges.

We have a well established excellent track record of EPR and ENDOR spectroscopy. The technique has been applied to many problems from unravelling complex reaction mechanisms to characterising functional materials.

Equipment

• Bruker E580 (X-band) spectrometer: Pulsed EPR, ENDOR (Mims, Davies), ESEEM and HYSCORE, PELDOR. Variable temperature (4 - 298 K) with air-sensitive sample handling capability
• Bruker ESP300e (X/Q-band) spectrometer: Continuous wave EPR and  ENDOR. Variable temperature (4 - 298 K) with air-sensitive sample handling capability
• Bruker EMX (X-band) spectrometer: Continuous wave EPR. Variable temperature (140 - 298 K) with static and dynamic vacuum in situ sample capability
• High-Pressure Bruker Micro (X-band) spectrometer: Continuous wave EPR.  Variable temperature (140 - 298 K) with static and dynamic vacuum in-situ and high pressure (40,000 bar sample capability
• UHV EPR/XPS System (X-band): Continuous wave EPR for single-crystal studies. Ultra-high vacuum conditions (10^-10 Torr) with sample treatment chamber (10⁶ Torr)

Our spectroscopic techniques and expert knowledge enables high quality chemical analysis.

We are also excellently equipped to characterise heterogeneous catalysts and other solid materials through the extensive analytic facilities of the Cardiff Catalysis Institute.

Equipment

Spectroscopy

• Shimadzu IR Affiinity-1 Spectrometer (With ATR Accessory)
• Jasco FT-IR 660 plus Spectrometer
• Jasco V-570 UV-Vis Spectrometer
• Series of Renishaw Raman spectrometers
• Stelar FFC2000 Fast Field Cycling Relaxometer
• Jobin Yvon Fluorolog3-22 Vis/NIR time resolbed

Catalyst/solid characterisation

• Adsorption techniques for surface area, pore volume and pore size determination
• Thermal gravimetric analysis and differential thermal analysis
• Temperature programmed reduction/oxidation/desorption analysis
• Elemental analysis using microwave plasma atomic emission spectroscopy
• Scanning electron microscopy with energy dispersive X-ray analysis
• Transmission electron microscopy

Cardiff University hosts high-throughput catalyst testing capabilities within the Cardiff Catalysis Institute (CCI).

This is through the use of two high-throughput reactor units, designed and manufactured by Integrated Lab Solutions GmbH (ILS), with high-pressure and ambient-pressure capacities.

The use of high-throughput technology is becoming more prevalent within catalytic processes, allowing for greater research output to be achieved. Not only can increased catalyst testing output be achieved, but high-throughput technology allows for a more robust optimisation strategy for catalyst design.

Equipment

• The high-pressure unit consists of a parallel 16-bed reactor with operational conditions of up to 450°C and 70 bar, used for reactions such as CO2 hydrogenation.
• The low-pressure unit contains a parallel 16-bed reactor with operational conditions of up to 700°C at ambient pressure, for reactions such as hydrocarbon oxidation, selective catalytic reduction and water-gas shift reactions.
• Both units are connected to online GC and FTIR analysis systems.

We have access to excellent high-performance computing facilities for theoretical chemistry studies.

Theoretical modelling is now an essential discipline, and work in this area underpins many aspects of our research, from understanding the most fundamental aspects of electronic structure, elucidating complex reaction mechanisms to helping develop the next generation of functional materials. We have extensive hardware and software capabilities.

Equipment and software

• Access to the University ARCCA service which provides a 3000-core cluster facility
• Access to HPC Wales (14000 cores)
• Access to national services such as Archer
• Dedicated stereographic visualisation cinema
• Full range of chemistry software (Molpro, Gaussian, VASP, Gromacs, Siesta, Amber, CPMD, NWChem), and dedicated software support

Our newly refurbished mass spectrometry suite provides a wide range of analysis across a spectrum of chemical disciplines.

These excellent facilities have recently been strengthened by a £1M EPSRC grant and the establishment of a newly refurbished mass spectrometry suite.

Techniques are able to separate, identify and quantify complex mixtures derived from a vast array of sources. Gas, liquid and solid samples can all be analysed with a high degree of precision.

Equipment

Maldi mass spectrometry

• Waters MALDI-TOF micro mx
• Waters Synapt

LC/MS

• Waters Synapt
• Waters QTOF micro (ES/APCI, ionisation)
• Waters LCT premier XE (ES/APCI ionisation)
• Waters fraction lynx system (ES/APCI ionisation)
• Bruker Amazon XL ion trap (ES/APCI ionisation)

GC/MS

• Waters GC-TOF (EI/CI, FD and FI ionisation)
• Perkin Elmer TGA-FTIR-GC/MS (EI ionisation)

ICP/MS

• Agilent 7900 ICPMS

We are developing new chemical analysis techniques to discover revolutionary insights into chemical processes.

Nuclear magnetic resonance spectroscopy is one of the most powerful chemical analytical techniques. We have 8 spectrometers for liquid and solid-state analysis, which underpin our research from synthetic chemistry to materials. They also form an integral role in teaching the latest analytical techniques.

Our comprehensive equipment base provides a wide ranging capability, and we are developing new techniques to discover fascinating new insight into chemical processes.

Equipment

Liquid NMR

• Bruker DPX 250 MHz (5.9 Tesla; 1H, 13C, 19F, 31P)
• Jeol Eclipse 300 MHz (7.0 Tesla; multinuclear)
• Bruker Fourier 300 MHz (7.0 Tesla; 1H and 13C)
• Bruker DPX 400  MHz (9.3 Tesla; 1H and 13C)
• Bruker Avance 500 MHz (11.7 Tesla; multinuclear)
• Bruker DRX 600 MHz with cryoprobe (14.0 Tesla; 1H, 13C, 19F, 31P, 15N)

Solid-state NMR

• Chemagnetics Infinity Plus 300 MHz (7.05 Tesla) variable temperature capability with range of probes and a single crystal goniometer probe
• Chemagnetics Infinity Plus 400 MHz (9.4 Tesla) with variable temperature capacity and range of probes

Our workshops contain the machinery and expert staff required to design, repair and fabricate specialist equipment.

Mechanical and electrical capabilities can produce bespoke scientific equipment for demanding applications, whilst repair, modification and maintenance of many scientific items underpins our research and teaching activities.

Expertise in high pressure and flow reactors means that innovative solutions can be delivered to a range of custom problems. Facilities in our workshops include:

Equipment

Mechanical

• Centre Lathes
• Bridgeport Universal milling machine
• Pillar Drills
• Offhand Grinders
• Bandsaw
• Linisher

Metal working

• Oxy-acetylene gas welding
• Arc welding
• Spot welding
• MIG Welding
• Bending, folding, rolling and cutting

Wood working

• Circular Saws
• Thicknesser and planner
• Centre lathe
• Combined linisher/ sander

Electronic and electrical

• Manufacture, maintenance and servicing of electrical / electrical equipment.

Vacuum

• Overhaul, maintenance and servicing of vacuum pumps and equipment.

We have a variety of single and powder X-ray diffractometers capable of tackling the most challenging of problems.

The determination of solid-state structures impacts widely from the development of functional materials to formulation of effective pharmaceuticals.

Our diffractometers are capable of collecting high-resolution data at low temperatures to systems that can probe structures up to 900°C under 10 atmospheres of reactive gases.

Equipment

Powder XRD

• Panalytical XPert diffractometer with 96 position autosampler
• Bruker D8 diffractometer with multi-sample holder.
• Bruker D8 diffractometer with high temperature sample stage (Paar HTK 1200) and low temperature cryostat (Oxford PHenix).
• Panalytical XPert diffractometer with Anton Parr XRK reaction cell and on-line GC/MS analysis

Single crystal XRD

• Rigaku R-axis IV diffractometer  (copper rotating anode)
• Agilent SupaNova Dual Atlas diffractometer, equipped with an Oxford Cryosystem cooling apparatus