Dear group members,
I am a little bit late with my summary. I apologize for this
delay.
When I started my question, I really thought there is no literature
available concerning such a simple compound. The opposite is
true. There are numerous C-13 measurements of CO2 in gaseous
phase, as solid, as supercritical fluid and adsorbed to surfaces.
The average chemical shift is about 126 ppm.
Here are the references:
(1) Bowers, C. R.; Long, H. W.; Pietrass, T.; Gaede, H. C.; Pines, A.
Chem. Phys. Lett. 1993, 205, 168-170.
Can. J. Chem. 1982, 60, 1000-1006
J. B. Strothers reports this value along with carbon monoxide (182.2 ppm) in
the 1972 "Carbon-13 NMR Spectroscopy" Academic Press.
Carbon-13 nuclear magnetic resonance and Raman investigations of aqueous
carbon dioxide systems. Abbott, Theresa M.; Buchanan, Gerald W.; Kruus, Peeter;
Lee, Keith C. Dep. Chem., Carleton Univ., Ottawa, ON, Can. Canadian Journal of
Chemistry (1982), 60(8), 1000-6.
Carbon-13 magnetic shielding in gaseous carbon dioxide. Jackowski, Karol;
Raynes, William T. Inst. Basic Prob. Chem., Univ. Warsaw, Warsaw, Pol. Journal
of the Chemical Society, Chemical Communications (1979), (19), 863-5.
This has been measured at 20K by Beeler et al, JACS, V. 106, p. 7672
(1984). delta(iso) = 133 ppm wrt TMS.
G. Govil, "NMR Studies in Gases," Appl. Spectrosc. Rev., 7, 47 (1973).
"High-Resolution NMR of Liquids and Gases: Effects of Magnetic-Field-Induced
Molecular Alignment,"
Annu. Rep. NMR Spectrosc., 19, 35 (1987).
"Gas-Phase NMR Spectroscopy," Chem. Rev., 91, 1375 (1991).
"Nuclear magnetic resonance spectroscopy of molecules in the gas phase"
Progress in Nuclear Magnetic Resonance Spectroscopy
Volume 31, Issues 2-3 , September 1997, Pages 119-154
The chemical shift reported relative to TMS is 124.2 ppm. See "Carbon-13
NMR Spectroscopy" by J.B. Stothers Academic Press 1972 p 304. Original
paper Ettinger et al J. Chem. Phys. 33, 1597 (1960).
Journal of Physical Chemistry, V.89, (1985) 3185-3188.
Many thanks to Ulrike Werner-Zwanziger, V. P. Chacko, Gerry Lawless,
Peter Lundberg, Robert Scott, Donald Stec, Tanja Pietrass, Graham
Steven, Jim Riordan, Steffen Berger Lawrence Byrnes, George
Sukenick, Clemens Anklin, Edward Waali, John Muntean, Stanley
Fricke, Guy Bernard, Dipanjan Nag, A. Spyros, Andrew Kolbert,
Darryl LeBlanc, Mike Maddox, Jerry Hu and Rich Shoemaker.
Best regards
Rainer
Received on Mon May 05 2003 - 13:00:33 MST