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RAP 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

opportunity location
50.64.72.B8257 Boulder, CO

NIST only participates in the February and August reviews.

Advisers

name email phone
Tara Marie Lovestead tara.lovestead@nist.gov 303.497.5614
Jason A Widegren 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

 

key words
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

Stipend

Base Stipend Travel Allotment Supplementation
$82,764.00 $3,000.00
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