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The NMR Spectroscopy Facility

Frequently Asked Questions

1. How can I reprocess archived data?

Information on this can be found on the data processing page

2. How do I get trained to use the NMR systems?

The training for the open-access 400 MHz NMR spectrometers is carried out by Neil Wells and is by appointment only.

Training for the 400/2 is by arrangement with Neil and usage is normally limited to specific project need.

3. How should I make an appointment to be trained?

Email nmr@soton.ac.uk with the name of your supervisor and a valid Agresso code and you will be given access to the online booking calendar.

Once you have received email confirmation, sign-up for an appointment: Open-access NMR training

4. How can I incorporate spectra in my report/thesis/paper?

1D Spectra can very easily be incorporated into word-processed documents. The first step is to process the raw data (see Data Processing).

Once the data have been processed, the contents of the ChemSketch window can be saved in a variety of common file formats or pasted directly into the document via the Windows clipboard.

Further processing of the inserted picture can be effected in Word/PowerPoint to enhance the figures (e. g. annotation of peaks, insertion of structures).

ACD Labs Spectrus (NMRWorkbook): Download from server 152.78.196.44

Useful Downloads

Need the software?PDF Reader

5. How should I refer to the NMR spectrometers in reports/thesis/papers?

Cut and paste the appropriate paragraph of text into the experimental section of the relevant paper, thesis or report:

Open access 400 MHz systems used only:

NMR spectra were recorded on Bruker AVII400 or Bruker AVIIIHD400 FT-NMR spectrometers in the indicated solvent at 298 K. Chemical shifts for proton and carbon spectra are reported on the delta scale in ppm and were referenced to residual solvent references or internal TMS reference.

500 MHz data also acquired:

NMR spectra were recorded on Bruker AVII400, Bruker AVIIIHD400 or Bruker AVIIIHD500 FT-NMR spectrometers in the indicated solvent at 298 K. Chemical shifts for proton and carbon spectra are reported on the delta scale in ppm and were referenced to residual solvent references or internal TMS reference.

If appropriate, add the following text:

* Where mixed solvent experiments were performed the solvent used for lock is listed first.

* The reference employed for heteronuclear NMR experiments is indicated with the measurement.

6. Where can I find the chemical shifts for solvents?

An excellent paper listing common impurities found in NMR spectra in a number of solvents was published in 1997:

H. E. Gottlieb, V. Kotlyar, A. Nudelman, J. Org. Chem. 1997, 62, 7512-7515.

The table linked below contains data for selected physical properties for the most commonly used deuterated solvents.

Solvent impurities. 1997 paper by Gottlieb et al.

Useful Downloads

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