J.B. Stothers NMR Facility Department of Chemistry Western University London, Ontario, Canada
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NMR Facility Notes

The Notes Several series of notes have been developed by the staff of the NMR facility. These notes cover all aspects of performing NMR experiments in the NMR facility. The notes for acquiring and processing NMR spectra are specific to the VnmrJ 3.2A software utilized on the Varian NMR spectrometers. The notes thus do not necessarily extend to Varian spectrometers at other facilities. Notes for processing NMR spectra using other NMR software packages have not been developed. 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 Bruker 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 NMR facility's data server using SFTP. These notes describe how to set-up an example 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 VnmrJ3.2A 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 VnmrJ3.2A 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. NMR Probe Tuning on the Inova 400 These notes describe how to correctly tune the autoswitchable HFCP 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. NMR Probe Tuning on the Inova 600 These notes describe how to correctly tune the 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.

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 Situation 2: I have performed NMR experiments at another institution on Bruker spectrometers Situation 3: I have performed NMR experiments at another institution on Varian spectrometers Situation 4: I have used the Bruker 400, but now want to use the Varian Inova 400 or Inova 600 Situation 5: I want to perform variable-temperature NMR experiments Situation 6: I want to perform odd-nuclei NMR experiments on the Varian Inova spectrometers Situation 1: I have never done NMR before If you have never performed NMR experiments before, you will start on the automated Bruker 400 NMR spectrometer. Before you submit a sample, you must learn how to properly prepare an NMR sample and know if the Bruker 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: NMR Sample Preparation NMR Spectrometer Capabilities and Specifications Basic Operation of the Bruker 400 Retrieving NMR Data Situation 2: I have performed NMR experiments at another institution on Bruker spectrometers You will still start on the automated Bruker 400 NMR spectrometer and need to attend the New Users . Depending on whether your previous institution used IconNMR or TopSpin for acquisition, you may or may not need to consult the Basic Operation of the Bruker 400 notes. Therefore, you must consult the following notes: NMR Spectrometer Capabilities and Specifications Retrieving NMR Data If you have never used IconNMR before, you must also consult Basic Operation of the Bruker 400 Situation 3: I have performed NMR experiments at another institution on Varian spectrometers Varian's software and hardware can vary dramatically depending on the software version, spectrometer type, probe used and degree of customization at the facility. Thus it is mandatory to be re-trained at our 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: NMR Spectrometer Capabilities and Specifications Basic Operation of the Bruker 400 Retrieving NMR Data 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 utilize different software than that of the Bruker 400. Therefore, you must consult the following notes: NMR Spectrometer Capabilities and Specifications Reserving NMR Time (not necessary if you have used the FACES NMR website before) Basic Operation of the Inova 400 and 600 You may wish to consult the following notes: If you are using VnmrJ to process your 1D NMR spectra: Processing 1D NMR Spectra using VnmrJ If you are using VnmrJ to process your 2D NMR spectra: Processing 2D NMR Spectra using VnmrJ Situation 5: I wish to perform variable-temperature NMR experiments Variable-temperature (VT) NMR experiments can only 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: Variable-Temperature NMR Experiments You may wish to consult the following notes: If you are using VnmrJ to process your 1D NMR spectra: Processing 1D NMR Spectra using VnmrJ If you are using VnmrJ to process your 2D NMR spectra: Processing 2D NMR Spectra using VnmrJ Situation 6: I wish to perform odd-nuclei NMR experiments on the Inova spectrometers In our facility, odd-nuclei are considered to be any nuclear isotope besides 1H, 13C, 19F or 31P. Odd-nuclei NMR experiments are performed on either the Bruker 400, Inova 400 or Inova 600 NMR spectrometers. Acquiring odd-nuclei NMR spectra on the Bruker 400 is simple, but doing so on the Inova spectrometers require manual tuning of the NMR probe. Thus in order to use the Inovas to acquire odd-nuclei NMR spectra, you must first consult the following notes: NMR Probe Tuning Odd-Nuclei NMR Experiments You may wish to consult the following notes: If you are using VnmrJ to process your 1D NMR spectra: Processing 1D NMR Spectra using VnmrJ If you are using VnmrJ to process your 2D NMR spectra: Processing 2D NMR Spectra using VnmrJ