ASTM E2977-15

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Designation: E2977 − 15
Standard Practice for
Measuring and Reporting Performance of Fourier-Transform
Nuclear Magnetic Resonance (FT-NMR) Spectrometers for
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Liquid Samples
This standard is issued under the fixed designation E2977; the number immediately following the designation indicates the year of
original adoption or, in the case of revision, the year of last revision. A number in parentheses indicates the year of last reapproval. A
superscript epsilon (´) indicates an editorial change since the last revision or reapproval.
1. Scope E386 Practice for Data Presentation Relating to High-
Resolution Nuclear Magnetic Resonance (NMR) Spec-
1.1 This practice covers procedures for measuring and
troscopy
reporting the performance of Fourier-transform nuclear mag-
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2.2 ISO Standard:
netic resonance spectrometers (FT-NMRs) using liquid
ISO Guide 31 Reference Materials—Contents of Certificates
samples.
and Labels
1.2 This practice is not directly applicable to FT-NMR
spectrometers outfitted to measure gaseous, anisotropically
3. Terminology
structured liquid, semi-solid, or solid samples; those set up to
3.1 Definitions—For definitions of terms used in this
work with flowing sample streams; or those used to make
practice, refer to Terminology E131, Practice E386, and Refs
hyperpolarization measurements.
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(1-4). Chemical shifts are usually given in the dimensionless
1.3 This practice was expressly developed for FT-NMR
quantity, δ, commonly expressed in parts per million. For a
spectrometers operating with proton resonance frequencies
given nucleus, the chemical shift scale is relative and is
between 200 and 1200 MHz.
commonly pegged to the resonance of an agreed upon refer-
ence material as described by Eq 1.
1.4 This practice is not directly applicable to continuous
wave (scanning) NMR spectrometers.
δ 5 ν 2 ν ÷ ν (1)
~ !
sample sample reference reference
1.5 This practice is not directly applicable to instruments
3.1.1 Frequencies are given in Hertz. Because the numerator
using single-sideband detection.
is very small compared with the denominator, it is usually
1.6 Units—The values stated in SI units are to be regarded
convenient to express δ in parts per million.
as the standard. No other units of measurement are included in
3.1.2 As the location of a resonance is determined in part by
this standard.
the ratio of the magnetic field to the radio frequency at which
it is observed, chemical shifts and spectral regions are often
1.7 This standard does not purport to address all of the
designated as lower frequency (increased shielding) or higher
safety concerns, if any, associated with its use. It is the
frequency (decreased shielding) relative to a reference point.
responsibility of the user of this standard to establish appro-
Defined in this manner, chemical shifts are independent of
priate safety and health practices and determine the applica-
either the magnetic field or the radio frequency used. Coupling
bility of regulatory limitations prior to use.
constants, which are independent of the magnetic field or radio
frequency used, are expressed in Hertz.
2. Referenced Documents
3.1.3 nuclear magnetic resonance (NMR) tube camber,
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2.1 ASTM Standards:
n—maximum total deflection of any part of the outer wall of
E131 Terminology Relating to Molecular Spectroscopy
the tube held at the ends and rotated 360°; a measure of the
bow in the tube.
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3.1.4 NMR tube concentricity, n—maximum variation in
This test method is under the jurisdiction of ASTM Committee E13 on
Molecular Spectroscopy and Separation Science and is the direct responsibility of
wall thickness of the tube; a measure of how centered the tube
Subcommittee E13.15 on Analytical Data.
inside diameter is relative to the tube outer diameter.
Current edition approved May 1, 2015. Published May 2015. Originally
approved in 2014. Last previous edition approved in 2014 as E2977–14. DOI:
10.1520/E2977-15.
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For referenced ASTM standards, visit the ASTM website, www.astm.org, or Available from American National Standards Institute (ANSI), 25 W. 43rd St.,
contact ASTM Customer Service at service@astm.org. For Annual Book of ASTM 4th Floor, New York, NY 10036, http://www.ansi.org.
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Standards volume information, refer to the standard’s Document Summary page on The boldface numbers in parentheses refer to the list of references at the end of
the ASTM website. this standard.
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E2977 − 15
4. Significance and Use resonances of impurities observed in the spectrum of the
standard sample should not interfere with the resonances of
4.1 This practice permits an analyst to compare the perfor-
interest in the standard sample. This usually me
...