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Opportunity at National Institute of Standards and Technology (NIST)

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

Location

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.

Advisers

Name E-mail Phone
Bruno, Thomas Joseph bruno@boulder.nist.gov 303.497.5158
Widegren, Jason A jason.widegren@nist.gov 303.497.5207

Description

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 high-accuracy methods or standard reference materials for the analysis of gas-phase mixtures. Mixtures of interest include natural gas, refrigerant mixtures (e.g., R-410a), and vapor samples that are important to forensic science (e.g., fuel vapors associated with arson). We are also interested in using NMR to study gas separations and vapor-liquid equilibria for commercially important gas-phase mixtures. Proposals are welcome to consider a variety of nuclei (such as 1H, 19F, 13C, and 31P) or the use 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.

 

References

Suarez C: Gas-Phase NMR Spectroscopy. The Chemical Educator 3: 1-18, 1998

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

 

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

Eligibility

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