Thanks: 31P NMR chemical shifts

S. M. Schoberth (s.schoberth@kfa-juelich.de)
Thu, 21 Jan 1999 15:46:28 +0100

Dear BUMERs,

the response to my email listed below
was overwhelming, and I thank

Mike Engelhardt (BRUKER),
Mark.Dixon@charnwood.gb.astra.com,
bill.eberle@cp.Novartis.com,
"Sato, Bob" <RKS@mv.catalytica-inc.com>,
"J. W. Emsley" <J.W.Emsley@soton.ac.uk>,
Stefan Berger <stberger@rz.uni-leipzig.de>,
and Lawrence Byrnes <numare@eclipse.net>.

*****************************************
This was my question:
*****************************************
Date: Wed, 20 Jan 1999 14:55:14 +0100
Subject: 31P shift tables

Dear BUMERs,

does anyone know of extensive 31P NMR chemical shift
tables in a review or a book*? Specifically, I am looking for
chemical shifts as seen in aqueous solution at around pH 7.
such as signals appearing in the region of phenyl-phosphinate
(roughly at about 20 ppm when inorganic phosphate and
sugar phosphates appear at about 0 to 5 ppm, pH 7,
aqueous solution). That these signals belong to phenyl-
phosphinate or a related compound is unlikely.

*: I know of Crutchfield et al. 1967. 31P Nuclear
Magnetic Resonance, John Wiley. But I am looking for
something more recent and more in the "aqueous
solution at pH 7" range.

*************************************************
And these are the papers/books that were recommended:
*************************************************

I use the "Handbook of Phosphorus-31 Nuclear Magnetic Resonance Data" edited
by John C. Tebby.

Published by CRC Press in 1991, ISBN 0-8493-3531-0

It has shifts of every conceivable 31-P molecule and in more solvents than I
have ever imagined possible.

Each listing has the literature reference.

***

You might find David Gorenstein's book Phosphorous-31 NMR Principles and
Applications to be of some use. My copy is dated 1984, but I am sure that
there is a more recent edition.

I am not sure what you are studying, but thiophosphate esters and other
agrochemicals such as glyphosate (Monsanto's RoundUp) have chemical shifts
in the 10 to 30 ppm range.

***

I don't know if this book will specifically answer your question, but ...

Phosphorus-31 NMR: Principles and Applications
Davis G. Gorenstein, Academic Press, 1984.
"J. W. Emsley" <J.W.Emsley@soton.ac.uk>
Try David Gorenstein's article in Prog. Nucl. Magn. Reson.,
vol 16, 1 (1985)

***

NMR Spectroscopy of the Non-Metallic Elements, (English)
Stefan Berger, Siegmar Braun, Hans-Otto Kalinowski,
John Wiley & Sons, Ltd., 1997,
ISBN 0 471 96763 7
from:
NMR-Spektroskopie von Nichmetallen,
Georg Thieme Verlag, 1992, 1993, and 1994
http://www.uni-leipzig.de/~nmr/STB/stb.html Date: Wed, 20

Thanks again,

Siegfried Schoberth

+-----------------------------------
| Siegfried M. Schoberth (PhD)
| Institute of Biotechnology 1
| research Center Juelich (FZJ)
| D-52425 Juelich/Germany
| Voice: +49-2461-61-5568
| Fax: +49-2461-61-3870
| Email: s.schoberth@fz-juelich.de
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