Solution NMR Spectrometers

Bruker

500 MHz AVIIIHD 500 with 60 position SampleXpress sample changer (room 37) and 400 MHz AVIIIHD 400 (room 34):

These spectrometers are both set up to run 1D and 2D experiments using 1H, 19F, 13C, 31P, and 11B experiments. Both have a 5 mm BBFO+ SmartProbe which autotunes to 1H on one channel and X (between 109Ag and 19F) on the other channel and which has single z gradient capability. Software is TopSpin 3.5.

On the Bruker 500, each user may use the instrument for one hour during the day and three hours overnight.

Click here for the Scheduling page (group is MCGILLNMR), Signup policy, and Status page for the Bruker 400

Click here for the Status page for the Bruker 500

Agilent (Varian)

500 MHz Varian VNMRS (room 34): This three channel spectrometer is primarily used to run directly detected 13C and 1H 1D experiment and 2D inverse detection experiments. With extra training, you can run other nuclei (such as 31P), on it. VT range for the standard probe used on this instrument (the observe, or X-optimized, SW probe): -100 to +120 C. Single z gradient capability. Available probes include: 5 mm SW PFG 1H/19F/X[15N-31P], 5 mm ID PFG 1H/19F/X[15N-31P] and an HCN triple resonance probe. Operated with VNMRJ 4.2 software.

Click here for Scheduling page (group is MCGILLNMR) and Signup policy for the Varian 500

400 MHz Varian Mercury (room 37): This two channel spectrometer is used mainly for 1H spectra, although it can also detect 31P, albeit with relatively low sensitivity. The inverse detection probe has a VT of -20 C to +50 C. Single z gradient capability. Available probes include: a 5 mm ID PFG 1H/19F/X[15N-31P] and a 5 mm SW 1H/19F/X[15N-31P]. Operated with VNMRJ 4.2 software.

Click here for Scheduling page (group is MCGILLNMR) and Signup policy for the Varian 400

300 MHz Varian Mercury equipped with an SMS-100 sample changer (room 34): This two channel spectrometer is capable of observing 1H, 19F and 13C. Probe is tuned to 1H/19F (high band) and 13C (low band). Single z gradient capability. Available probe: 5 mm ATB PFG 1H/X[15N-31P]. Operated with VnmrJ 4.2 software.

Solid State NMR Spectrometer

Agilent (Varian)

400 MHz Varian VNMRS (room 35): State-of-the-art high power console. Available probes include: double resonance CPMAS probe, low 13C background, using 7.5 mm zirconia rotors capable of spinning at 7 KHz; double resonance CPMAS probe using 4 mm zirconia rotors capable of spinning at 18 KHz; a non-spinning wideline probe for deuterium studies. Operated wiht VnmrJ 4.2 software.

Click here for Scheduling page (group is MCGILLSOLIDS) and Instrument rules.

Choosing the Right Spectrometer

For 13C: use the Mercury 300 with the autosampler. If it does not provide a spectrum with adequate signal-to-noise, use the Varian 500 for up to 18 hours (Scheduling page (group is MCGILLNMR)) or the Bruker 500, if you can get enough signal in the three hours avaiable at night per user. You can also book the Bruker 400 overnight (Scheduling page (group is MCGILLNMR)). You must tune the probe on the Varian 500 before running 13C experiments on it. See Dr. Stein for help if needed.

For 31P: the best choices are the two Bruker instruments. If you have a concentrated sample, you can use the Varian 400. The Varian 500 can be set up to do 31P, which is handy if you need to acquire over a period of time or at high temperature, but there must be a hardware change to the probe to accomplish that. See Dr. Stein for training for this.

For 19F: use the Varian 300 with the autosampler or either Bruker instrument. You may also use the Varian 500, but you need special training for this.

For 2D involving 1H: use the Varian 300, the Varian 500 or either Bruker. You must tune the probe before running 2D experiments on the Varian 500; ask Dr. Stein if you need training for this.

For experiments involving 19F-13C correlation or 13C{19F} experiments, use the Varian 500; this requires training from Dr. Stein. If your sample is concentrated, you can use the Varian 300.

For VT (variable temperature) work: the Varian 500 is the first choice, although the two 400 MHz instruments can also do VT experiments. Check with Dr. Stein before changing the temperature because the different instruments have different operating temperatures and each must be operated within the appropriate range.