ASTM E1840-96(2007)
(Guide)Standard Guide for Raman Shift Standards for Spectrometer Calibration
Standard Guide for Raman Shift Standards for Spectrometer Calibration
SIGNIFICANCE AND USE
Wavenumber calibration is an important part of Raman analysis. The calibration of a Raman spectrometer is performed or checked frequently in the course of normal operation and even more often when working at high resolution. To date, the most common source of wavenumber values is either emission lines from low-pressure discharge lamps (for example, mercury, argon, or neon) or from the non-lasing plasma lines of the laser. There are several good compilations of these well-established values (1-8).3 The disadvantages of using emission lines are that it can be difficult to align lamps properly in the sample position and the laser wavelength must be known accurately. With argon, krypton, and other ion lasers commonly used for Raman the latter is not a problem because lasing wavelengths are well known. With the advent of diode lasers and other wavelength-tunable lasers, it is now often the case that the exact laser wavelength is not known and may be difficult or time-consuming to determine. In these situations it is more convenient to use samples of known relative wavenumber shift for calibration. Unfortunately, accurate wavenumber shifts have been established for only a few chemicals. This guide provides the Raman spectroscopist with average shift values determined in seven laboratories for seven pure compounds and one liquid mixture.
SCOPE
1.1 This guide covers Raman shift values for common liquid and solid chemicals that can be used for wavenumber calibration of Raman spectrometers. The guide does not include procedures for calibrating Raman instruments. Instead, this guide provides reliable Raman shift values that can be used as a complement to low-pressure arc lamp emission lines which have been established with a high degree of accuracy and precision.
1.2 The values stated in SI units are to be regarded as the standard.
1.3 Some of the chemicals specified in this guide may be hazardous. It is the responsibility of the user of this guide to consult material safety data sheets and other pertinent information to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to their use.
This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.
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NOTICE: This standard has either been superseded and replaced by a new version or withdrawn.
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Designation: E1840 − 96(Reapproved 2007)
Standard Guide for
Raman Shift Standards for Spectrometer Calibration
This standard is issued under the fixed designation E1840; the number immediately following the designation indicates the year of
original adoption or, in the case of revision, the year of last revision.Anumber in parentheses indicates the year of last reapproval.A
superscript epsilon (´) indicates an editorial change since the last revision or reapproval.
1. Scope E1683Practice for Testing the Performance of Scanning
Raman Spectrometers
1.1 This guide covers Raman shift values for common
liquid and solid chemicals that can be used for wavenumber
3. Terminology
calibration of Raman spectrometers. The guide does not
includeproceduresforcalibratingRamaninstruments.Instead, 3.1 Definitions—Terminology used in this guide conforms
thisguideprovidesreliableRamanshiftvaluesthatcanbeused
to the definitions set forth in Terminology E131.
as a complement to low-pressure arc lamp emission lines
which have been established with a high degree of accuracy
4. Significance and Use
and precision.
4.1 Wavenumber calibration is an important part of Raman
1.2 The values stated in SI units are to be regarded as the
analysis.ThecalibrationofaRamanspectrometerisperformed
standard.
or checked frequently in the course of normal operation and
even more often when working at high resolution.To date, the
1.3 Some of the chemicals specified in this guide may be
hazardous. It is the responsibility of the user of this guide to mostcommonsourceofwavenumbervaluesiseitheremission
lines from low-pressure discharge lamps (for example,
consult material safety data sheets and other pertinent infor-
mation to establish appropriate safety and health practices and mercury,argon,orneon)orfromthenon-lasingplasmalinesof
the laser. There are several good compilations of these well-
determine the applicability of regulatory limitations prior to
their use. established values (1-8). The disadvantages of using emission
lines are that it can be difficult to align lamps properly in the
1.4 This standard does not purport to address all of the
sample position and the laser wavelength must be known
safety concerns, if any, associated with its use. It is the
accurately.Withargon,krypton,andotherionlaserscommonly
responsibility of the user of this standard to establish appro-
used for Raman the latter is not a problem because lasing
priate safety and health practices and determine the applica-
wavelengths are well known. With the advent of diode lasers
bility of regulatory limitations prior to use.
and other wavelength-tunable lasers, it is now often the case
2. Referenced Documents
that the exact laser wavelength is not known and may be
difficult or time-consuming to determine. In these situations it
2.1 ASTM Standards:
is more convenient to use samples of known relative wave-
E131Terminology Relating to Molecular Spectroscopy
numbershiftforcalibration.Unfortunately,accuratewavenum-
ber shifts have been established for only a few chemicals.This
This guide is under the jurisdiction of ASTM Committee E13 on Molecular
Spectroscopy and Separation Science and is the direct responsibility of Subcom-
guide provides the Raman spectroscopist with average shift
mittee E13.08 on Raman Spectroscopy.
values determined in seven laboratories for seven pure com-
Current edition approved March 1, 2007. Published March 2007. Originaly
pounds and one liquid mixture.
approved in 1996. Last previous edition approved in 2002 as E1840–96(2002).
DOI: 10.1520/E1840-96R07.
For referenced ASTM standards, visit the ASTM website, www.astm.org, or
contact ASTM Customer Service at service@astm.org. For Annual Book of ASTM
Standards volume information, refer to the standard’s Document Summary page on The boldface numbers in parentheses refer to a list of references at the end of
the ASTM website. the text.
Copyright © ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959. United States
E1840 − 96 (2007)
5. Raman Shift Standards high purity from commercial sources such as Aldrich. Six of
the laboratories in the study used FT-Raman spectrometers;
5.1 Reagents and Methodology—Raman shifts were mea-
one used a scanning Raman system; and one employed a
sured in seven laboratories for the following eight materials:
multichannel spectrometer. The shift values were determined
Compound Source
independently by each laboratory; only an approximate spec-
Naphthalene Mallinckrodt
1,4-Bis(2-methylstyryl)benzene (a laser dye) Aldrich
trum without peak frequencies was provided as a guide. No
Sulfur Aldrich
4 wavenumber calibration procedure was recommended, but
50/50 (v/v) toluene/acetonitrile Mallinckrodt
6 5
each laboratory used their own calibration procedure to obtain
4-Acetamidophenol Aldrich
Benzonitrile Aldrich
the most accurate data possible.
Cyclohexane Mallinckrodt
Polystyrene Aldrich
5.2 Data—Figs. 1-8 and Tables 1-8 give representative
5.1.1 The eight materials were selected to cover a wide
spectra and peak data for the eight standards. Uncorrected,
−1
wavenumber range (from 85 to 3327 cm ) for both solids and
relative peak intensities determined with a SPEX 1403 scan-
liquids. They have no known polymorphs, and several batches
ning double monochromator (1200- lines/mm gratings) and
were examined. All of the chemicals are readily available at
RCA 31034A photomultiplier tube with 514.5-nm excitation
are included to help the user match spectral peaks with the
Available from Mallinckrodt, 16305 Swingley Ridge Dr., Chesterfield, MO tabulated shift values. Average shifts and standard deviations
63017. If you are aware of alternative suppliers, please provide this information to
(σ ) appear in the tables.With the exception of a few values
N−1
ASTM International Headquarters. Your comments will receive careful consider-
1 at low and high Raman shifts, only values with standard
ation at a meeting of the responsible technical committee, which you may attend.
−1
Available from Aldrich, 1001 W. St. Paul Ave., Milwaukee, WI 53233. If you deviations less than 1.0 cm are reported. Most of the
are aware of alternative suppliers, please provide this information to ASTM
unreported peaks were weak, had poor shape, or overlapped
International Headquarters. Your comment
...
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