Study on Spectral Shapes of K.ALPHA. Lines of Ammonium and Nitrate Nitrogen Using Electron Probe Microanalyzer and Molecular Orbital Calculation

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  • 電子プローブマイクロアナライザー及び分子軌道法によるアンモニウム態及び硝酸態窒素のＫα線スペクトルの形状の解析
  • デンシ プローブ マイクロアナライザー オヨビ ブンシ キドウホウ ニ ヨル アンモニウムタイ オヨビ ショウサンタイ チッソ ノ K アルファセン スペクトル ノ ケイジョウ ノ カイセキ

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Description

An electron probe microanalyzer was applied to ammonium sulfate, ammonium nitrate and sodium nitrate to make chemical-state analyses of Kα lines of ammonium and nitrate nitrogen. The results inferred that the shape of the Kα lines in ammonium sulfate and ammonium nitrate was symmetric, and that of the Kα lines in sodium nitrate was asymmetric. To understand this asymmetry of the Kα lines in sodium nitrate theoretically, the electronic transition states of a nitrate ion cluster, related to the Kα lines of nitrogen, were calculated by the DV-Xα molecular orbital method. The results showed that the electronic transition states (transition energies and intensities), caused by chemical bonds between nitrogen and the adjacent oxygen atom, determined the shapes of the Kα lines of nitrogen.

Journal

  • BUNSEKI KAGAKU

    BUNSEKI KAGAKU 57 (7), 549-553, 2008

    The Japan Society for Analytical Chemistry

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