1.1 本指南涵盖了可用于拉曼光谱仪波数校准的常见液体和固体化学品的拉曼位移值。本指南不包括校准拉曼仪器的程序。相反，本指南提供了可靠的拉曼频移值，可作为对低压弧光灯发射线的补充，低压弧光灯的发射线已以高精度和高精度建立。 1.2 以国际单位制表示的值应视为标准值。本标准不包括其他测量单位。 1.3 本指南中规定的某些化学品可能具有危险性。本指南的用户有责任在使用前查阅材料安全数据表和其他相关信息，以建立适当的安全和健康实践，并确定监管限制的适用性。 1.4 本标准并不旨在解决与其使用相关的所有安全问题（如有）。本标准的使用者有责任在使用前建立适当的安全、健康和环境实践，并确定监管限制的适用性。 1.5 本国际标准是根据世界贸易组织技术性贸易壁垒（TBT）委员会发布的《国际标准、指南和建议制定原则决定》中确立的国际公认标准化原则制定的。 =====意义和用途====== 4.1 波数校准是拉曼分析的重要组成部分。拉曼光谱仪的校准在正常操作过程中频繁执行或检查，在高分辨率工作时更频繁。 迄今为止，波数值的最常见来源是来自低压放电灯（例如，汞、氩或氖）的发射线或来自激光器的非激光等离子体线。这些公认的价值观有几个很好的汇编 ( 1- 8. ) . 3. 使用发射线的缺点是很难在样品位置正确地对准灯，并且必须准确地知道激光波长。对于氩、氪和其他通常用于拉曼的离子激光器，后者不是问题，因为激光波长是众所周知的。 随着二极管激光器和其他波长可调谐激光器的出现，现在通常不知道确切的激光波长，并且可能难以确定或耗时。在这些情况下，使用已知相对波数偏移的样本进行校准更为方便。不幸的是，只有少数化学物质建立了精确的波数偏移。本指南为拉曼光谱学家提供了七个实验室测定的七种纯化合物和一种液体混合物的平均位移值。

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, health, and environmental practices and determine the applicability of regulatory limitations prior to use. 1.5 This international standard was developed in accordance with internationally recognized principles on standardization established in the Decision on Principles for the Development of International Standards, Guides and Recommendations issued by the World Trade Organization Technical Barriers to Trade (TBT) Committee. ====== 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.