NMR spectroscopy

The School of Chemistry is extremely well equipped for NMR studies. A large number of advanced spectrometers are available with a variety probes and accessories, together with user friendly walk-up automation, easy access to data for off-line processing and NMR spectral simulation packages.

User information, which contains information for NMR users about magnet safety, system usage and ftp. For further information contact: Simon Barrett, e: s.a.barrett@leeds.ac.uk

NMR Spectrometers

JEOL ECA600 series II 600MHz NMR service instrument

Location G.07. Restricted access.
Workstation  Windows7 PC running Delta 5.0
Hardware 5mm 14N to 31P/19F&1H z-pfg  BB&1H Royal Probe.  5mm 1H-{BB} high sensitivity 1H probe. Variable temperature  -100C to +100C. Sample changer.
Frequencies (MHz) 1H 599.99; 13C 150.90; 31P 242.93; 19F 564.68
Experiment types H, 1H presat, HH-COSY, HMQC, HSQC, HMBC, NOESY, ROESY, 1H –nOe, 1H-{Xnucleus} & selective irradiation, X-nucleus-{1H}, 19F, 2D. Very long, run acquisitions.
Normal N2 fill N2 fill: Thursday 14:15
Access NMR service, specialist work on discussion of requirements.
Installed Feb 2014
Magnet 14.095T  Jastec  Super Shielded Magnet.


Bruker AVANCE 500 (LC500)

Location G.05 (opposite Chemistry Stores). LHS of room
Network name chmnmr6
Data directories   /opt/topspin/data/usernames/nmr
Workstation LINUX PC running TOPSPIN2
Hardware 5mm 1H-{X-BB} z-pfg probe. Automated sample changer run in submission order
Frequencies (MHz) 1H 500.23; 13C 125.795.
Experiment types 1H, 1H presat, HH-COSY, Inverse type HMQC HMBC and 13C{1H} with strong samples only in CDCl3.
Normal N2 fill Thursday 14:15 – 15:15 takes 30mins
Access Permanent open access by windows username login using ICONNMR day & night experiments run in submission order
Installed 2002.  Workstation & Topspin2 upgrade 2011
Magnet 11.747T  Bruker UltraShield Ultra-Stabilised
Current status http://chmnmr6.leeds.ac.uk:8015/template-login.htm


Bruker AVANCE 500 (AV500)

Location G.05  (opposite Chemistry Stores). RHS of room
Network name chmnmr7
Data directories  /opt/topspin/data/username/nmr
Workstation LINUX PC running TOPSPIN2
Hardware mm Auto-tune BB/1H z-pfg probe, 5mm1H/{13C}/{X-BB} z-pfg probe. 3-channels, automated sample changer runs in submission order. Automated  VT 5C-70C.
Frequencies (MHz) 1H 500.57; 13C 125.882; 15N 50.742; 19F 471.006; 31P 202.634; 11B 160.603; 133Cs 65.654
Experiment types 13C{1H}, C13DEPT, 1H, 1H presat, HH-COSY, HMQC,HMBC,NOESY, ROESY, 31P{1H}, 19F, 19F-{1H}.Other experiments available and other reasonably sensitive nuclei
Normal N2 fill Thursday 12:15 – 14:15 takes 30mins
Access Open access by windows username login using ICONNMR, day and night longer runtime experiments run in submission order. Booked  weekends available on discussion of requirements. Weekend priority submissions available on discussion
Installed 2003. Auto-tune&matching  BB-{1H} z-pfg probe 2011. Workstation &Topspin2 upgrade 2011
Magnet 11.747T  Bruker UltraShield Ultra-Stabilised
Current status http://chmnmr7.leeds.ac.uk:8015/template-login.htm


Bruker AVANCE III HD-400 (AV400)

Location 1.07 (inner room, next to stairs to lecture theatre A&B).
Workstation LINUX PC running TOPSPIN3
Hardware 5mm Auto-tune BB/1H z-pfg probe. Automated sample changer.
Frequencies (MHz) 1H 400.13; F19 376.498;13C 100.613; 31P 161.976
Experiment types 13C{1H}, C13DEPT, 1H, 1H presat, HH-COSY, HMQC,HMBC,NOESY, ROESY, 31P{1H}, 19F, 19F-{1H}.Other reasonably sensitive nuclei.
Access Open access by username login.
Installed May 2015
Magnet Ascen 9.4 Tesla actively shielded magnet.


Bruker AVANCE III 300 (AV3-300)

Location 1.07 (inner room, next to stairs to lecture theatre A&B)
Network Name chmnmr8
Data directories  /opt/topspin3.0/data/usernames/nmr
Workstation LINUX PC running TOPSPIN 3.0
Hardware 5mm Autotune BB/1H z-pfg probe. Automated sample changer daytime carousel order, night-time submission order. Variable temperature.
Frequencies (MHz) 1H 300.13; 13C 75.468; 31P 121.495; 19F 282.404
Experiment types C13-{1H}, DEPT, 19F-{1H}, 1H-{19F}, 1H, 1H presat, HH-COSY,HMQC,HMBC, 31P-{1H}, 1H-{31P}. Other nuclei depending on sensitivity
Normal N2 fill Tuesday 12:15 - 15:00 takes 30mins
Access Term time undergraduate use and permanent open access by windows  username login using  ICONNMR. Outside term time, booking time available on discussion of requirements 9.00 – 16:30. Permanent overnight automation.
Installed 2011
Magnet 7.049T  Bruker UltraShield Ultra-Stabilised long hold time
Current status http://chmnmr8.leeds.ac.uk:8015/template-login.htm


500/600MHz NMR Service

A wide and ever growing variety of experiments are available to users on our 500MHz and 600MHz instruments.  When normal open access instrumentation has proved ineffective at elucidating the required information a selection of probes and accessories that we have installed on instruments is available to users.

Network name chmnmr7, chmlin2
Data directories  /opt/topspin3.0/data/usernames/nmr on chmlin2
Workstation LINUX PC running TOPSPIN2, Windows PC running Delta5.
Hardware 500MHz: 5mm Auto-tune BB/1H z-pfg probe, 5mm1H{X-BB} z-pfg probe, 5mm 11B-{1H}  & 10mm BB-{1H}probe, -120C to +120C variable temperature. 600MHz: 5mm BB-{1H} z-pfg & 5mm 1H-{BB} z-pfg probes, -100C to +100C
Frequencies (MHz) 1H 500.13/599.99; 13C 125.758/150.90; 31P 202.456; 19F 470.582/564.68; 11B 160.462; 15N 50.697
Main experiment types 1H, 1H presat, HH-COSY, HMQC, HSQC, HMBC, NOESY, ROESY, 1H –nOe, 1H-{Xnucleus} & selective irradiation, X-nucleus-{1H}, 19F, 2D 1H-19F HMQC+TOCSY, Diffusion Experiments;  Very long, run time acquisitions; Other nuclei and experiments are available on discussion
Access NMR service, specialist work on discussion of requirements
Service submission form From chmlin2, or WS FTP  file  /opt/topspin/data/NMR_info/
NMR_SEVICE_REQ.doc.   Print off, fill-in and submit in G.05