NMR spectroscopy

The NMR facility offers experimentation and support for standard chemical analysis and the opportunity to collaborate using specialist experimental design to support cutting edge research.

Equipment

NMR Spectrometers

JEOL ECA600ii 14.1 T (600 MHz 1H) NMR service spectrometer

• This spectrometer uses a 5 mm ROYAL probe providing 1H and broadband operation (31P-15N) covering many nuclei including 11B, 13C, 19F, 31P, 133Cs and 195 Pt.  The ECA600ii has a 24-position changer and is the School service spectrometer supporting a wide suite of experiments including analytical 1D NMR, 2D NMR, NOESY, DOSY, kinetics and variable temperature operation between -80 to +100°C.

Bruker AV4 NEO 11.75 T (500 MHz 1H) NMR spectrometer  (500-CP)

• This is a 2-channel spectrometer with a 5 mm Bruker C/H cryoprobe providing optimal sensitivity for ultrafast analytical analysis (1D 13C < 4 minutes for 20 mM). Operation is through walk-up open access automation using a 60-position Sample Xpress sample changer and the spectrometer provides data from 1D and 2D experiments for chemical analysis. Users are trained for access to the 500-CP following an induction period on lower field instruments. Specialist service requests can be made to utilise the additional sensitivity available (1H > 3000:1, 13C > 2350:1) or variable temperature capabilities on this spectrometer between 5-70°C.

Bruker AV4 NEO 11.75 T (500 MHz 1H) NMR spectrometer  (500-4C)

• This is a 4-channel spectrometer providing both routine and specialist NMR operations with variable temperature studies available between -50 and +100°C. The 500-4C is equipped with a 60-position Sample Case Plus and has three 5 mm RT probe options: 
  • BBO for chemical analysis including 1H and broadband operation (31P-15N) covering many nuclei including 11B, 13C, 19F, 31P, 133Cs, 195 Pt.
  • TBO for advanced NMR options including 19F experiments and combinations of {X,19F,1H} where X is any NMR nucleus in the broadband range (15N-31P).
  • TXI (1H,13C,15N) for chemical biology, natural products and peptide/protein NMR.
  • 500-4C operates through a variety of modes; i.e. service, advanced training and walk-up. Users competent at 500-CP level require additional training for access to the 500-4C.

Bruker AV3HD 9.4 T (400 MHz 1H) NMR spectrometer  (AV3HD-400)

• This is a 2-channel spectrometer with a 60-position Sample Xpress sample changer and BBO probe offering 1H and broadband operation (31P-15N+19F) covering nuclei including 11B, 13C, 19F, 31P, 133Cs, 195 Pt.  Operation is through walk-up automation mode that provides 1D and 2D experiments for chemical analysis. This is the primary research walk-up spectrometer for the School and the AV3HD-400 is the spectrometer where all new users begin.

Bruker AV3 7.05 T (300 MHz 1H) NMR spectrometer  (AV3-300)

• This is a 2-channel spectrometer with a BACS-60 sample changer and BBO probe offering 1H and broadband operation (31P-15N+19F) covering nuclei including 11B, 13C, 19F and 31P. Operation is through walk-up automation mode to provide mostly 1D investigative NMR, including paramagnetic analysis, as well as a select number of 2D experiments for chemical analysis. This spectrometer supports undergraduate teaching and research for the School and is available in walk-up mode for newly trained users.

Applications

NMR is primarily used for chemical analysis and structure determination but the facility also caters for specialist applications across many disciplines:

• Structural and conformational analyses of molecules including variable temperature studies
• Solvent suppression for 1H NMR in protonated solvents
• Molecular interactions studies and reaction kinetics
• Quantitative (Q-NMR) for purity
• Heteronuclear NMR, eg. 11B, 19F, 31P, 195Pt, 133Cs
• Complex mixture analysis/ diffusion analysis
• Nuclear relaxation for size, shape and cross-relaxation properties of molecules.

Location

School of Chemistry, rooms 1.07, G.05 and G.07