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Pure Appl. Chem., Vol. 70, No. 10, pp. 2039-2045, 1998

PHYSICAL CHEMISTRY DIVISION

COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY*

Specification of Components, Methods and Parameters in Fourier Transform Spectroscopy by Michelson and Related Interferometers

(Technical Report)

Back to Index - Introduction - List A - List C

 

LIST B: For Fourier Transform Spectroscopy at High Resolution

The following should be specified in all papers when relevant or should be deducible directly from other information in the paper or in specifically cited references.

  • The instrument type, its manufacturer and model number.
  • The sample, its purity and how this was determined, the method of sampling.
  • Identified line width contributions due to the Doppler effect, pressure broadening, or other sample properties.
  • How water and carbon dioxide were removed from the optical path.
  • Wavenumber calibration: Conditions used for calibration spectra and source of calibration reference data.**
  • Signal-to-noise ratio: Value at peak background energy in an absorption measurement, or maximum recorded value in an emission measurement, or equivalent information.
  • The radiation source.
  • The beamsplitter used and its useful wavenumber range.
  • Optical filters used, their range and temperature.
  • The detector,and its temperature, D* value, and wavenumber range.
  • Step scan or continuous scan.
  • The optical retardation velocity (for continuous scan).
  • Whether the interferogram was one-sided or two-sided.
  • The total elapsed time for measurement AND the efficiency of the measurement cycle; OR equivalent information including the number of scans or, for step-scan systems, the integration time at each point.
  • The digitization (sampling) interval, dx, or the alias bandpass, dx-1, after any digital filtering.
  • The maximum optical path difference in the interferogram, Xmax OR the nominal resolution defined as 1/Xmax.
  • The apodization function used.
  • The diameter, d, of the limiting aperture of the spectrometer.
  • The focal length, F, of the collimating mirror.
  • The wavenumber interval between original calculated spectral points.
  • Characteristics of electronic filters used.
  • Characteristics of digital filters used.

The following should also be specified when quantitative significance is claimed for absolute or relative intensities or lineshapes

  • The Fourier transform algorithm used, e.g., Cooley-Tukey, variable radix, or other.
  • The type of phase correction used, e.g., multiplicative or convolution.
  • The type of spectrum calculated from the Fourier transform, e.g., phase corrected amplitude spectrum or magnitude spectrum (in which zero baseline noise is all positive).
  • Information about the linearity of cooled detectors, if used.
  • Details of any arithmetic processing of the spectra after Fourier transformation and phase correction, including the use of a reference spectrum to calculate the transmittance or absorbance spectrum.

** e.g., Guy Guelachvili and 23 others, Pure and Applied Chemistry 68, 193 (1996); reprinted in J. Molecular Spectroscopy 177, 164 (1996) and in Spectrochimica Acta 52, 717 (1996).

Back to Index - Introduction - List A - List C

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