スペクトルのモーメントを用いた赤外スペクトル検索の研究

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タイトル別名
  • Computer retrieval of infrared spectra by use of moments of spectra
  • スペクトル ノ モーメント オ モチイタ セキガイ スペクトル ケンサク ノ

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The moments of spectra are expected to be a good sifter for searching infrared spectra, as they represent the characteristics of spectral pattern. The efficiency of 1st, 2nd, 3rd, and 4th moments of infrared spectra has been examined. About 450 IRDC spectral charts have been digitized by use of a curve reader model JEOL JRS-80 for the frequency range from 4000 to 400 cm-1. The reproducibility of the reader is sufficient for the present purpose. Although the valueS of the moments depend on the experimental conditions, especially on the sampling technique for solid samples, it is concluded that the moments can be used as one of the sifters for searching infrared spectra. The efficiency is approximately 3% when the four moments are used, and 0.5% when the frequency of the strongest absorption band is used together with the four moments. Similar study has also been made for the frequency range from 2000 to 400 cm-1. The results indicate that the frequency range does not affect significantly the efficiency of the moments. As the result is more or less affected by the correction of the background of the observed spectra, it is desirable to measure the spectra under the normalized condition for improving the efficiency.

収録刊行物

  • 分析化学

    分析化学 28 (10), 591-595, 1979

    公益社団法人 日本分析化学会

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