Spectroscopy Research Tools

On this, and subsequent pages, you can see our work in the areas of spectroscopy. Currently this is largely based on multinuclear NMR spectroscopy, and vibrational (IR and Raman) spectroscopy. We have a slowly evolving set of pages covering multinuclear NMR studies of a variety of nuclei. You can access tools to aid in the analysis of data as well as access our database and data repository.

• NMR primer and NMR multiplet calculator for spin-1/2 and quadrupolar nuclei
• Calculate elemental analysis figures for a compound
• Calculate a mass spectrum isotope pattern
• Calculate the P-31 NMR chemical shift for a phosphine
• Search our spectroscopy database
• Add new data to our database
• Examples of multinuclear NMR spectra recorded within the group

There are many pieces of software for plotting, measuring, simulating NMR data available we often use SpinWorks or Mestrec