Spectroscopy
On this, and subsequent pages, you can see some of 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.
- Theory and examples of multinuclear NMR spectra
- 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
![[Key]](../pics/key01.gif)
You can also access spectroscopic data recorded by our group from here
Software for plotting, measuring, simulating NMR data is available from SpinWorks or Mestrec
![The crystal packing diagram of [AuCl{Et2P(CF=CF2)}]](/rotator/aurophilicity.png "Fluorous dominated structure of [AuCl{Et2P(CF=CF2)}]")
![The calculated mass spectrum of [Pt2(S)2(PPh3)4]](/F_News/mstool.png "[Pt2(S)2(PPh3)4] as predicted by our mstool")
