1.1本指南涵盖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位移值，可作为低压弧光灯发射线的补充，低压弧光灯发射线具有高度的准确性和精密度。 1.2以国际单位制表示的数值应视为标准值。本标准不包括其他计量单位。 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，并在使用前确定监管限制的适用性。 1.4 本标准并非旨在解决与其使用相关的所有安全问题（如有）。本标准的用户有责任在使用前制定适当的安全和健康实践，并确定监管限制的适用性。 ====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经常执行或检查，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低压放电灯（例如汞、氩或氖）的发射线或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，很难将灯正确对准样品位置，并且必须准确知道激光波长。对于通常用于拉曼的氩、氪和其他离子激光器，后者不是问题，因为激光波长众所周知。随着二极管激光器和其他波长可调谐激光器的出现，现在通常情况下，确切的激光波长未知，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，仅对少数化学品建立了准确的波数偏移。本指南为拉曼光谱仪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 and health practices and determine the applicability of regulatory limitations prior to use. ====== 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.