Submitted by Kent / Hope College Summer Research on Mon, 07/07/2008 - 13:21

­Hello everybody!


I am a research student trying to find a compilation of  31P NMR chemical shifts that doesn't date back to the 1960's.

If anyone has seen anything please let me know.



Adam Johnson / Harvey Mudd College

Hi, and welcome!

I don't do a lot of 31P NMR myself, and I don't know of a handy table of tabulated chemical shifts like there are for 1H and 13C.  In fact, this quote makes me think that there may not be one (from Silverstein and Webster, Spectrometric Identification of Organic Compounds, 6th ed):  "The chemical shift range for 31P is rather large and generalizations are dangerous.  In fact, even the different valence states of phosphorous do not fall into predictable patterns.  All is not lost however, since there many reliable published studies of 31P chemical shifts."

 Two important things to note about this quote.  First, the typo is theirs, not mine.  Can't trust everything you read!  Second, I think you are going to have to find closely related compounds to compare your shifts to.  For example, if you are studying trimethyl phosphine (not recommended) you could look up the 31P NMR shift of triethyl phosphine. 

My inorganic laboratory students make phosphazenes as one experiment.  There are a couple papers from 20-30 years ago that report chemical shifts for a number of phosphazenes, and they can compare the p-Cl to the p-Br derivatives, etc.

Finally, some of the references in chapter 7 of the aforementioned text are these: 

"Phosphorus-31 NMR" by D. G. Gorenstein (1984), Academic Press, London.

"Phosphorus-31 NMR spectral properties in compound characterization adn structural analysis" by L. D. Quin and J. G. Verkade, (1994) VCH publishers, New York. 

good luck!


Tue, 07/08/2008 - 16:43 Permalink
Lori Watson / Earlham College

I really haven't found any huge and easy to use compilations, but there are a few reliable 31P shifts at

I have also used ACD's 31P NMR predictor, and it does surprisingly well (as long as your phosphine is not bound to a metal--it's not nearly as good with those).

Another site I like, though they're just getting started with 31P, is…

There are a number of other resources listed at  though I have not used most of these.    Many require a paid subscription by your institution, but you may have access to them.

Good luck!

Wed, 07/09/2008 - 08:34 Permalink