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Advanced Materials and Methods for Quantitative Nuclear Magnetic Resonance Spectroscopy: Standardization for the Second Century of Analytical NMR


Material Measurement Laboratory, Applied Chemicals and Materials Division

RO# Location
50.64.72.B8257 Boulder, CO

Please note: This Agency only participates in the February and August reviews.


Name E-mail Phone
Bruno, Thomas Joseph 303.497.5158
Widegren, Jason A 303.497.5207


Nuclear magnetic resonance (NMR) spectroscopy has several important advantages for quantitative measurements of amount of substance: authentic material is not required for calibration, sample conditions are mild and nondestructive, a wide molecular mass range is accessible, and low uncertainties are readily achieved. Despite these advantages, the use of quantitative NMR (qNMR) has been largely limited to one-dimensional 1H NMR on liquid samples. Part of the reason for such narrow use of qNMR is that high-quality standards are lacking. It is worth noting that, even for liquid-phase 1H NMR, commercial qNMR standards have only appeared in the last few years. We seek proposals related to the development of standard methods or standard reference materials for qNMR. Particular emphasis is placed on nuclei other than 1H (such as 19F, 31P, and 15N). We also seek proposals related to the development or assessment of methods used for the analysis of gas-phase mixtures such as natural gas or refrigerant blends. We are also interested in the quantification of multidimensional spectra. A 600 MHz NMR with a variety of probes will be at the disposal of the researcher, along with a variety of other analytical methods.



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Marchione AA, et al: Estimation of Atmospheric Lifetimes of Hydrofluorocarbons, Hydrofluoroethers, and Olefins by Chlorine Photolysis Using Gas-Phase NMR Spectroscopy. Analytical Chemistry 80: 6317-6322, 2008

Pauli GF, et al: Quantitative 1H NMR. Development and Potential of an Analytical Method: An Update. Journal of Natural Products 75: 834-851, 2012

Le Gresley A, et al: Bias and Uncertainty in Non-Ideal qNMR Analysis. Critical Reviews in Analytical Chemistry 45: 300-310, 2015

Meyer K, et al: Quantitative NMR Spectroscopy for Gas Analysis for Production of Primary Reference Gas Mixtures. Journal of Magnetic Resonance 275: 1-10, 2017


Nuclear magnetic resonance spectroscopy; NMR; Quantitative NMR; qNMR; Standard reference materials; Method development; 1D and 2D NMR; Multidimensional NMR; Gas-phase mixtures;


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants
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