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

摘要

An electron probe microanalyzer was applied to ammonium sulfate, ammonium nitrate and sodium nitrate to make chemical-state analyses of Ka lines of ammonium and nitrate nitrogen. The results inferred that the shape of the Ka lines in ammonium sulfate and ammonium nitrate was symmetric, and that of the Ka lines in sodium nitrate was asymmetric. To understand this asymmetry of the Ka lines in sodium nitrate theoretically, the electronic transition states of a nitrate ion cluster, related to the Ka lines of nitrogen, were calculated by the DV-Xa 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 Ka lines of nitrogen.%大気中に浮遊する粒子は，以前より健康影響が懸念されrnており，その複雑な発生機構の解明が求められている．粒rn子は，工場，自動車等の人為的発生源や土壌等の自然界にrn起源をもつ一次粒子並びにガス成分の凝集や一次粒子表面rnへの凝縮から生成される二次（生成）粒子に分類されrnる．