ASTM E1840-96

Standard Guide for Raman Shift Standards for Spectrometer Calibration

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 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.
1.3.1 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.

General Information

• Status: Historical
• Publication Date: 09-Oct-1996
• Technical Committee: E13 - Molecular Spectroscopy and Separation Science
• Drafting Committee: E13.08 - Raman Spectroscopy

Relations

• Replaced By: ASTM E1840-96(2002) - Standard Guide for Raman Shift Standards for Spectrometer Calibration
• Effective Date: 10-Oct-1996
• Referred By: ASTM E2911-23 - Standard Guide for Relative Intensity Correction of Raman Spectrometers
• Effective Date: 10-Oct-1996
• Referred By: ASTM E2529-06(2022) - Standard Guide for Testing the Resolution of a Raman Spectrometer
• Effective Date: 10-Oct-1996
• Referred By: ASTM D8470-22 - Standard Practice for Development and Implementation of Instrument Performance Tests for Use on Multivariate Online, At-Line and Laboratory Spectroscopic Based Analyzer Systems
• Effective Date: 10-Oct-1996
• Referred By: ASTM E1683-02(2022) - Standard Practice for Testing the Performance of Scanning Raman Spectrometers
• Effective Date: 10-Oct-1996

Standards Content (Sample)

NOTICE: This standard has either been superceded and replaced by a new version or discontinued.
Contact ASTM International (www.astm.org) for the latest information.
Designation: E 1840 – 96
Standard Guide for
Raman Shift Standards for Spectrometer Calibration
This standard is issued under the fixed designation E 1840; 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 (e) indicates an editorial change since the last revision or reapproval.
1. Scope lines from low-pressure discharge lamps (for example, mer-
cury, argon, or neon) or from the non-lasing plasma lines of the
1.1 This guide covers Raman shift values for common
laser. There are several good compilations of these well-
liquid and solid chemicals that can be used for wavenumber
established values (1-8). The disadvantages of using emission
calibration of Raman spectrometers. The guide does not
lines are that it can be difficult to align lamps properly in the
include procedures for calibrating Raman instruments. Instead,
sample position and the laser wavelength must be known
this guide provides reliable Raman shift values that can be used
accurately. With argon, krypton, and other ion lasers commonly
as a complement to low-pressure arc lamp emission lines
used for Raman the latter is not a problem because lasing
which have been established with a high degree of accuracy
wavelengths are well known. With the advent of diode lasers
and precision.
and other wavelength-tunable lasers, it is now often the case
1.2 The values stated in SI units are to be regarded as the
that the exact laser wavelength is not known and may be
standard.
difficult or time-consuming to determine. In these situations it
1.3 This standard does not purport to address all of the
is more convenient to use samples of known relative wave-
safety concerns, if any, associated with its use. It is the
number shift for calibration. Unfortunately, accurate wavenum-
responsibility of the user of this standard to establish appro-
ber shifts have been established for only a few chemicals. This
priate safety and health practices and determine the applica-
guide provides the Raman spectroscopist with average shift
bility of regulatory limitations prior to use.
values determined in seven laboratories for seven pure com-
1.4 Some of the chemicals specified in this guide may be
pounds and one liquid mixture.
hazardous. It is the responsibility of the user of this guide to
consult material safety data sheets and other pertinent infor-
5. Raman Shift Standards
mation to establish appropriate safety and health practices and
5.1 Reagents and Methodology—Raman shifts were mea-
determine the applicability of regulatory limitations prior to
sured in seven laboratories for the following eight materials:
their use.
Compound Source
Naphthalene Mallinckrodt
2. Referenced Documents
1,4-Bis(2-methylstyryl)benzene (a laser dye) Aldrich
2.1 ASTM Standards: Sulfur Aldrich
50/50 (v/v) toluene/acetonitrile Mallinckrodt
E 131 Terminology Relating to Molecular Spectroscopy
6 5
4-Acetamidophenol Aldrich
E 1683 Practice for Testing the Performance of Scanning 5
Benzonitrile Aldrich
Raman Spectrometers
Cyclohexane Mallinckrodt
Polystyrene Aldrich
3. Terminology
5.1.1 The eight materials were selected to cover a wide
−1
3.1 Definitions—Terminology used in this guide conforms
wavenumber range (from 85 to 3327 cm ) for both solids and
to the definitions set forth in Terminology E 131.
liquids. They have no known polymorphs, and several batches
were examined. All of the chemicals are readily available at
4. Significance and Use
high purity from commercial sources such as Aldrich. Six of
4.1 Wavenumber calibration is an important part of Raman
the laboratories in the study used FT-Raman spectrometers;
analysis. The calibration of a Raman spectrometer is performed
one used a scanning Raman system; and one employed a
or checked frequently in the course of normal operation and
multichannel spectrometer. The shift values were determined
even more often when working at high resolution. To date, the
most common source of wavenumber values is either emission
The boldface numbers in parentheses refer to a list of references at the end of
This guide is under the jurisdiction of ASTM Committee E-13 on Molecular the text.
Spectroscopy and is the direct responsibility of Subcommittee E13.08 on Raman Available from Mallinckrodt, 16305 Swingley Ridge Dr., Chesterfield, MO
Spectroscopy. 63017.
Current edition approved Oct. 10, 1996. Published December 1996. Available from Aldrich, 1001 W. St. Paul Ave., Milwaukee, WI 53233.
2 6
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Copyright © ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959, United States.
NOTICE: This standard has either been superceded and replaced by a new version or discontinued.
Contact ASTM International (www.astm.org) for the latest information.
E1840–96
independently by each laboratory; only an approximate spec- are included to help the user match spectral peaks with the
trum without peak frequencies was provided as a guide. No tabulated shift values. Average shifts and standard deviations
wavenumber calibration procedure was recommended, but (s ) appear in the tables. With the exception of a few values
N−1
each laboratory used their own calibration procedure to obtain at low and high Raman shifts, only values with standard
−1
the most accurate data possible. deviations less than 1.0 cm are reported. Most of the
5.2 Data—Figs. 1-8 and Tables 1-8 give representative unreported peaks were weak, had poor shape, or overlapped
spectra and peak data for the eight standards. Uncorrected, other bands causing unacceptably high uncertainty in the data.
relative peak intensities determined with a SPEX 1403 scan-
6. Keywords
ning double monochromator (1200- lines/mm gratings) and
RCA 31034A photomultiplier tube with 514.5-nm excitation 6.1 Raman spectroscopy; wavenumber calibration
FIG. 1 Naphthalene
NOTICE: This standard has either been superceded and replaced by a new version or discontinued.
Contact ASTM International (www.astm.org) for the latest information.
E1840–96
FIG. 2 1,4 bis (2-Methylstyryl) Benzene
NOTICE: This standard has either been superceded and replaced by a new version or discontinued.
Contact ASTM International (www.astm.org) for the latest information.
E1840–96
NOTE 1—L
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