TY - JOUR

T1 - Toward standardization of Raman spectroscopy

T2 - Accurate wavenumber and intensity calibration using rotational Raman spectra of H-2, HD, D-2, and vibration-rotation spectrum of O-2

AU - Raj, Ankit

AU - Kato, Chihiro

AU - Witek, Henryk Arnold

AU - Hamaguchi, Hiro-o

PY - 2020/8/12

Y1 - 2020/8/12

N2 - Wavenumber and intensity calibration of a Raman spectrometer is performed with the use of pure rotational Raman bands(Delta nu = 0, Delta J = +/- 2) of H-2, HD, D-2, and vibration-rotation Raman bands (Delta nu = 1, Delta J = +/- 2) of O-2 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, rho = 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.

AB - Wavenumber and intensity calibration of a Raman spectrometer is performed with the use of pure rotational Raman bands(Delta nu = 0, Delta J = +/- 2) of H-2, HD, D-2, and vibration-rotation Raman bands (Delta nu = 1, Delta J = +/- 2) of O-2 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, rho = 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.

KW - depolarization ratio

KW - intensity calibration

KW - quantitative Raman spectroscopy

KW - standard Raman spectra

KW - wavenumber calibration

KW - SENSITIVITY CALIBRATION

KW - DEPOLARIZATION RATIO

KW - CROSS-SECTIONS

KW - SCATTERING

KW - SPECTROMETERS

KW - POLARIZATION

KW - HYDROGEN

KW - BENZENE

KW - TOLUENE

KW - SYSTEM

U2 - 10.1002/jrs.5955

DO - 10.1002/jrs.5955

M3 - Article

SN - 0377-0486

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

ER -