Nuclear magnetic resonance (NMR) spectroscopy facility

More Information

About the Nuclear magnetic resonance (NMR) spectroscopy facility

Nuclear magnetic resonance (NMR) spectroscopy is a highly effective analytical tool that enables the assignment of functional groups, atom connectivity, and 3D molecular structures by combining a wide range of 1D and 2D NMR experiments.

NMR spectroscopy is used in many areas of chemistry for the characterisation of small and large molecules and assemblies, and for the identification of individual constituents of complex mixtures.

The multi-user NMR spectroscopy facility at Southampton has solution NMR spectrometers operating at 400 and 500 Megahertz (MHz) that are used to underpin a vast array of research topics in:  

  • organic chemistry
  • chemical biology
  • inorganic and supramolecular chemistry 

Academic usage

The multi-user NMR spectroscopy facility operates as an Engineering and Physical Sciences Research Council (EPSRC) small research facility (SRF) and can be included on grant applications.

External users

For most small and medium-sized enterprises (SMEs), the cost of investment in expensive large equipment is prohibitive.  We work with other universities, as well as companies in the pharmaceutical industry and custom synthesis houses. We offer them a strong research support function in NMR spectroscopy.

The facility operates as an EPSRC small research facility and can be included on grant applications. It also offers a contract service for external users upon discussion with the facility manager via nC2 Engineering Consultancy.

Technical specification

Bruker AVII 400 MHz NMR spectrometer

Internally known as the "400/1", this spectrometer is available to trained users and runs under walk-up open-access automation.  

The 400/1 is equipped with a 5mm broadband fluorine-observe (BBFO) probe for routine observation of proton (¹H), carbon (¹³C), fluorine (¹⁹F) and phosphorus (³¹P), and is intended for rapid acquisition of routine NMR experiments such as one-dimensional (1D) ¹H, ¹³C, ¹⁹F, ³¹P spectra, and experiments like proton-proton correlation spectroscopy (HH COSY), proton-proton total correlation spectroscopy (HH TOCSY), heteronuclear multiple quantum coherence (HMQC), heteronuclear multiple bond correlation (HMBC), and fluorine-fluorine correlation spectroscopy (FF COSY).  

Bruker AVII 400 MHz NMR spectrometer

Internally known as the "400/2", this spectrometer is available to trained users and can be booked for experiments that require greater manual intervention than allowed with the open-access instruments.

The system features 4 room temperature probes:

  • 5 mm dual (DUL) proton/carbon (H/C) probe for observation protons (¹H) and carbon (¹³C) in one-dimensional (1D) and two-dimensional (2D) nuclear magnetic resonance (NMR) experiments
  • 10 mm broadband observe (BBO)  multinuclear probe with automatic tuning and matching for observation of nuclei from silver (¹⁰⁹Ag) to phosphorus (³¹P), with proton (¹H) decoupling
  • 10 mm low-frequency multinuclear probe with manual tuning for observation of nuclei from rhodium (¹⁰³Rh)to an unspecified nucleus (XXX) with proton (¹H) decoupling
  • 5 mm single echo field (SEF) probe for observation of fluorine (¹⁹F) with proton (¹H) decoupling (also ¹H observe with ¹⁹F decoupling) one-dimensional (1D) and two-dimensional (2D) nuclear magnetic resonance (NMR) experiments

Bruker AVIIIHD 400 MHz NMR spectrometer

Internally known as the "400/3", this spectrometer is available to trained users and runs under walk-up open-access automation.  

The 400/3 is equipped with a 5mm small multinuclear auto-resonance tuning (SMART) probe for routine observation of proton (¹H), carbon (¹³C), fluorine (¹⁹F) and phosphorus (³¹P), and is intended for rapid acquisition of routine NMR experiments such as one-dimensional (1D) ¹H, ¹³C, ¹⁹F, ³¹P spectra, and experiments like proton-proton correlation spectroscopy (HH COSY), proton-proton total correlation spectroscopy (HH TOCSY), heteronuclear multiple quantum coherence (HMQC), heteronuclear multiple bond correlation (HMBC), and fluorine-fluorine correlation spectroscopy (FF COSY).  

Bruker AVIIIHD 500 MHz NMR spectrometer

The AVIIIHD500 Fourier transform nuclear magnetic resonance (FT-NMR) spectrometer is used by NMR facility staff and trained NMR super-users to acquire data from more demanding and specialised NMR experiments.

Equipped with a 5mm broadband fluorine-observe (BBFO) multinuclear helium cryoprobe with automatic tuning and matching for observation of nuclei from nitrogen (¹⁵N) to phosphorus/fluorine (³¹P /¹⁹F) with proton (¹H) decoupling at substantial sensitivity enhancements, the 500 is primarily used for non-routine NMR spectroscopic analyses that are unsuited to the open-access instruments or where the uplfted field is necessary.

Typical experiments include extended variable temperature NMR studies, nuclear Overhauser effect (NOE) investigations to probe structural issues, extended 2D experiments, reaction monitoring and kinetics.

Contact us

Contact us

For more information, please email:

Mass Spectrometry Group

Chemistry (Building 27), University Of Southampton, Highfield Campus, Southampton, SO17 1BJ 

nC² Engineering Consultancy

nC² Engineering Consultancy, Building 15a, Highfield Campus, University of Southampton, Southampton, SO17 1BJ