Wavenumber and intensity calibration of a Raman spectrometer is performed with the use of pure rotational Raman bands (Δν = 0, ΔJ = ± 2) of H₂, HD, D₂, and vibration–rotation Raman bands (Δν = 1, ΔJ = ± 2) of O₂ as primary standards. Wavenumber calibration is based on reference transition wavenumbers available from accurate theoretical and experimental results. Intensity calibration is based on ratios of accurate theoretical Raman intensities for transitions from common rotational states to eliminate temperature effects. Polarization dependence is corrected to ensure that all of these bands have the correct depolarization ratio, ρ = 0.75. The calibrated Raman spectrometer is used to measure standard Raman spectra of carbon tetrachloride, benzene, cyclohexane, toluene, and benzonitrile, for which the relative Raman intensities and depolarization ratios are determined with carefully estimated uncertainties. Vibrational frequencies of indene used for routine wavenumber calibration are updated.

中文翻译：

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迈向拉曼光谱的标准化：使用H2，HD，D2的旋转拉曼光谱和O2的振动-旋转光谱进行准确的波数和强度校准

拉曼光谱仪的波数和强度的校准是通过使用纯转动拉曼带的执行（Δ ν = 0，Δ Ĵ =±2） h的₂，HD，d ₂，和振动-转动拉曼带（Δ ν = 1 ，Δ Ĵ =±2）的O ₂作为主要标准。波数校准基于可从准确的理论和实验结果获得的参考跃迁波数。强度校准基于精确的理论拉曼强度的比值，以便从常见旋转状态过渡到消除温度影响。校正了极化相关性，以确保所有这些波段均具有正确的去极化率，ρ = 0.75。校准的拉曼光谱仪用于测量四氯化碳，苯，环己烷，甲苯和苯甲腈的标准拉曼光谱，其相对拉曼强度和去极化比具有仔细估算的不确定性。更新了用于常规波数校准的茚的振动频率。