Facility Notes

Bring Over PDF

Several series of note have been developed by the staff of the NMR facility. These notes cover all aspects of performing NMR experiments in the NMR facility.

NMR Sample Preparation

In order to acquire the best quality NMR spectrum, the prepared solution must be free from precipitate, plus have the correct concentration and volume. These notes cover the correct way to prepare an solution for study by NMR.

Spectrometer Capabilities and Specifications

Each NMR spectrometer in the facility has unique specifications and strength, and the choice of spectrometer will depend on which NMR experiment you wish to perform. The Spectrometer Capabilities and Specifications notes describe the capabilities of each spectrometer and highlight the best spectrometer choice for a chosen experiment.

Basic Operation of the Bruker 400

These notes describe the method used to submit samples to the automated Mercury 400 NMR spectrometer. In addition, ways to view and print completed NMR spectra are outlined.

Retrieving NMR Data

After your NMR spectra have been acquired, it is necessary to retrieve your NMR data from the spectrometer using SFTP. These notes describe how to set-up Western's SFTP software and use the software to retrieve your NMR data.

Reserving NMR Time

The Reserving NMR Time notes describe how to use the FACES website to reserve NMR time on the Inova 400 and Inova 600 NMR spectrometers.

Basic Operation of the Inova 400 and 600

The Basic Operation of the Inova 400 and 600 notes describe in detail the basics of acquiring 1D and 2D NMR spectra on the Inova 400 and Inova 600 NMR spectrometers.

Processing 1D NMR Spectra using VnmrJ 3.2A

The procedure to process 1D NMR spectra, including peak-picking, integration, printing, using Varian's VnmrJ software is described in this set of notes.

Processing 2D NMR Spectra using VnmrJ 3.2A

In comparison to 1D NMR spectra, the appearance and quality of 2D NMR spectra depend much more strongly on how the NMR data is processed, with the spectra produced by the VnmrJ software generally being much better than that of third-party software. The procedure to process 2D NMR spectra using Varian's VnmrJ software is described in this set of notes.

VnmrJ Commands and Parameters

These note summarize the most commonly used commands and parameters used in VnmrJ. While it is not necessary to know any commands to use VnmrJ, their use increases the speed at which you can acquire and process NMR data.

Variable-Temperature NMR Experiments

To prevent damage to the NMR equipment, the proper procedure must be followed when performing variable-temperature NMR experiments on the Inova NMR spectrometers. The proper procedure is covered in this set of notes.

Inova 400 NMR Probe Tuning

These notes describe how to correctly tune the autoswitchable HF/CP probe on the Inova 400 in order to study a desired nucleus using NMR. These notes should be used in the tandem with the Odd-Nuclei NMR Experiments notes.

Inova 600 NMR Probe Tuning

These notes describe how to correctly tune the autoswitchable AutoX-DB probe on the Inova 600 in order to study a desired nucleus using NMR. These notes should be used in the tandem with the Odd-Nuclei NMR Experiments notes.

Odd-Nuclei NMR Experiments

When completed, these notes will discuss the relevant NMR details when performing NMR experiments on nuclei other than 1H, 13C, 19F or 31P. These notes should be used in the tandem with the Probe Tuning notes.

  • Full Notes

Which Notes Do I Need?

The notes you need will depend on your level of experience performing NMR experiment, the chosen NMR spectrometer, the chosen experiment, and the chosen nuclei of interest. Use the information below to determine which notes are relevant to you and your situation.

Situation 1: I have never done NMR before

If you have never performed NMR experiments before, you will start on the automated Mercury 400 NMR spectrometer. Before you submit a sample, you must learn how to properly prepare an NMR sample and know if the Mercury 400 can perform your desired experiment. After your spectrum has been acquired, you must retrieve you NMR data. Therefore, you must consult the following notes:

You may wish to consult the following notes:

Situation 2: I have performed NMR experiments at another institution using Bruker spectrometers

Bruke's software and hardware can vary significantly depending on the software version, spectrometer type and probe used.  Thus it is mandatory to be re-trained at our NMR facility to ensure the correct procedures are being followed.  Like all researchers who are new to our facility, you will start on the automated Bruker 400 NMR spectrometer.  The procedure to process and obtain your NMR data, plus the capabilities of our spectrometers, will likely be different than other NMR facilities.  Therefore, you must consult the following notes:

Situation 3: I have performed NMR experiments at another institution using Varian/Agilent spectrometers

Like all researchers who are new to our facility, you will start on the automated Bruker 400 NMR spectrometer. The procedure to process and obtain your NMR data, plus the capabilities of our spectrometers, will likely be different than other NMR facilities.  Therefore, you must consult the following notes:

Situation 4: I have used the Bruker 400, but now want to use the Inova 400 or Inova 600

If you have used the Bruker 400, then it is assumed that you know how to prepare an NMR sample and can retrieve you NMR data. The Inova spectrometers are not automated and use different spectrometer software, so their operation is very different than that of the Bruker 400. Therefore, you must consult the following notes:

You may wish to consult the following notes:

Situation 5: I wish to perform variable-temperature NMR experiments

Variable-temperature (VT) NMR experiments can be performed on either the Inova 400 or Inova 600 NMR spectrometers. You may only perform VT experiments once you are comfortable using the Inova spectrometers. You must consult the following notes:

You may wish to consult the following notes:

Situation 6: I wish to perform odd-nuclei NMR experiments

In our facility, odd-nuclei are considered to be any nuclear isotope besides 1H, 13C, 19F or 31P.  Odd-nuclei NMR experiments can be performed using the Bruker 400, which has an automated tuning module that will automatically tune the probe for you.  However, if you would like to use either the Inova 400 or Inova 600 NMR spectrometers for your odd-nuclei NMR experiments, you will need to organize a training session with an NMR Facility staff member.  You must consult the following notes:

You may wish to consult the following notes: