ASTM E1840-96(2014)
(Guide)Standard Guide for Raman Shift Standards for Spectrometer Calibration
Standard Guide for Raman Shift Standards for Spectrometer Calibration
SIGNIFICANCE AND USE
4.1 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 standard. No other units of measurement are included in this 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.
1.4 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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Designation: E1840 − 96 (Reapproved 2014)
Standard Guide for
1
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
3.1 Definitions—Terminology used in this guide conforms
includeproceduresforcalibratingRamaninstruments.Instead,
to the definitions set forth in Terminology E131.
thisguideprovidesreliableRamanshiftvaluesthatcanbeused
as a complement to low-pressure arc lamp emission lines
4. Significance and Use
which have been established with a high degree of accuracy
4.1 Wavenumber calibration is an important part of Raman
and precision.
analysis.ThecalibrationofaRamanspectrometerisperformed
1.2 The values stated in SI units are to be regarded as
or checked frequently in the course of normal operation and
standard. No other units of measurement are included in this
even more often when working at high resolution.To date, the
standard.
mostcommonsourceofwavenumbervaluesiseitheremission
lines from low-pressure discharge lamps (for example,
1.3 Some of the chemicals specified in this guide may be
mercury,argon,orneon)orfromthenon-lasingplasmalinesof
hazardous. It is the responsibility of the user of this guide to
the laser. There are several good compilations of these well-
consult material safety data sheets and other pertinent infor-
3
established values (1-8). The disadvantages of using emission
mation to establish appropriate safety and health practices and
lines are that it can be difficult to align lamps properly in the
determine the applicability of regulatory limitations prior to
sample position and the laser wavelength must be known
their use.
accurately.Withargon,krypton,andotherionlaserscommonly
1.4 This standard does not purport to address all of the
used for Raman the latter is not a problem because lasing
safety concerns, if any, associated with its use. It is the
wavelengths are well known. With the advent of diode lasers
responsibility of the user of this standard to establish appro-
and other wavelength-tunable lasers, it is now often the case
priate safety and health practices and determine the applica-
that the exact laser wavelength is not known and may be
bility of regulatory limitations prior to use.
difficult or time-consuming to determine. In these situations it
is more convenient to use samples of known relative wave-
2. Referenced Documents
numbershiftforcalibration.Unfortunately,accuratewavenum-
2
2.1 ASTM Standards:
ber shifts have been established for only a few chemicals.This
E131Terminology Relating to Molecular Spectroscopy
guide provides the Raman spectroscopist with average shift
values determined in seven laboratories for seven pure com-
1
This guide is under the jurisdiction of ASTM Committee E13 on Molecular
pounds and one liquid mixture.
Spectroscopy and Separation Science and is the direct responsibility of Subcom-
mittee E13.08 on Raman Spectroscopy.
5. Raman Shift Standards
CurrenteditionapprovedMay1,2014.PublishedJune2014.Originalyapproved
in 1996. Last previous edition approved in 2007 as E1840–96(2007). DOI: 5.1 Reagents and Methodology—Raman shifts were mea-
10.1520/E1840-96R14.
sured in seven laboratories for the following eight materials:
2
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
3
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
1
---------------------- Page: 1 ----------------------
E1840 − 96 (2014)
the laboratories in the study used FT-Raman spectrometers;
Compound Source
4
Naphthalene Mallinckrodt
one used a scanning Raman system; and one employed a
5
1,4-Bis(2-methylstyryl)benzene (a laser dye) Aldrich
multichannel spectrometer. The shift values were determined
5
Sulfur Aldrich
4
independently by each laboratory; only an approximate spec-
50/50 (v/v) toluene/acetonitrile Mallinckrodt
6 5
4-Acetamidophenol Aldrich
trum without peak frequencies was provided as a guide. No
5
Benzonitrile Aldrich
wavenumber calibration procedure was recomm
...
This document is not an ASTM standard and is intended only to provide the user of an ASTM standard an indication of what changes have been made to the previous version. Because
it may not be technically possible to adequately depict all changes accurately, ASTM recommends that users consult prior editions as appropriate. In all cases only the current version
of the standard as published by ASTM is to be considered the official document.
Designation: E1840 − 96 (Reapproved 2007) E1840 − 96 (Reapproved 2014)
Standard Guide for
1
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. 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
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. No other units of measurement are included in this 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.
1.4 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.
2. Referenced Documents
2
2.1 ASTM Standards:
E131 Terminology Relating to Molecular Spectroscopy
E1683 Practice for Testing the Performance of Scanning Raman Spectrometers
3. Terminology
3.1 Definitions—Terminology used in this guide conforms to the definitions set forth in Terminology E131.
4. Significance and Use
4.1 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
3
(1-8). 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.
1
This guide is under the jurisdiction of ASTM Committee E13 on Molecular Spectroscopy and Separation Science and is the direct responsibility of Subcommittee E13.08
on Raman Spectroscopy.
Current edition approved March 1, 2007May 1, 2014. Published March 2007June 2014. Originaly approved in 1996. Last previous edition approved in 20022007 as
E1840 – 96 (2002).(2007). DOI: 10.1520/E1840-96R07.10.1520/E1840-96R14.
2
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 ASTM website.
3
The boldface numbers in parentheses refer to a list of references at the end of the text.
Copyright © ASTM International, 100 Barr Harbor Drive, PO Box C700, West Conshohocken, PA 19428-2959. United States
1
---------------------- Page: 1 ----------------------
E1840 − 96 (2014)
5. Raman Shift Standards
5.1 Reagents and Methodology—Raman shifts were measured in seven laboratories for the following eight materials:
Compound Source
4
Naphthalene Mallinckrodt
5
1,4-Bis(2-methylstyryl)benzene (a laser dye) Aldrich
5
Sulfur Aldrich
4
50/50 (
...
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