Crystal field levels of neodymium and erbium ethylsulfate nonahydrates.
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概要
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The energy levels of the Nd<SUP>3+</SUP> ion in Nd(C<SUB>2</SUB>H<SUB>5</SUB>SO<SUB>4</SUB>)<SUB>3</SUB>·9H<SUB>2</SUB>O and of the Er<SUP>3+</SUP> ion in Er(C<SUB>2</SUB>H<SUB>5</SUB>SO<SUB>4</SUB>)<SUB>3</SUB>·9H<SUB>2</SUB>O are calculated within the 4f<SUP>N</SUP> configuration by the tensor operator method. The Hamiltonian containing a configuration interaction is diagonalized for the free ion levels and complete <I>J</I>-mixing is performed for the crystal field levels. The experimental "free-ion" energy levels of Nd<SUP>3+</SUP> and Er<SUP>3+</SUP> are fitted with a mean deviation of 70.8 cm<SUP>−1</SUP> for 19 terms and 78.2 cm<SUP>−1</SUP> for 22 terms, respectively. The crystal field parameters obtained for Nd(C<SUB>2</SUB>H<SUB>5</SUB>SO<SUB>4</SUB>)<SUB>3</SUB>·9H<SUB>2</SUB>O and Er(C<SUB>2</SUB>H<SUB>5</SUB>SO<SUB>4</SUB>)<SUB>3</SUB>·9H<SUB>2</SUB>O yield a mean deviation of 3.6 cm<SUP>−1</SUP> for 43 levels and 3.6 cm<SUP>−1</SUP> for 50 levels, respectively. The calculated Zeeman splitting factors (<I>g</I> values) in the direction along the crystal principal axis are in fair agreement with the experimental values.
- 公益社団法人 日本化学会の論文
著者
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Nagai Toshiyuki
Department Of Cardiology Hiratsuka City Hospital
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Nagai Toshiyuki
Department of Chemistry, Faculty of Science, Kobe University
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Kato Yoshifumi
Department of Chemistry, Faculty of Science, Kobe University
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Saika Apollo
Department of Chemistry, Faculty of Science, Kyoto University
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