ホウ素同位体地球化学に関する理論研究のためのB₂O₃同位体分子の換算分配関数比について

• 武蔵 正明

  東京工業大学原子炉工学研究所

• 石田 孝信

  Department of Chemistry, State University of New York at Stony Brock

書誌事項

タイトル別名

• Reduced partition function rations of isotopic B₂O₃ molecules for theoretical study of boron isotope geochemistry
• ホウ素同位体地球化学に関する理論研究のためのB2O3同位体分子の換算分配関数比について
• ホウソ ドウイタイ チキュウ カガク ニ カンスル リロン ケンキュウ ノ タ

抄録

In order to develop a theoretical basis useful in discussing the boron isotope geochemistry, it is first necessary to establish a reliable correlation between the molecular structures and molecular forces of boron compounds found in nature. With a goal to facilitate such basis by obtaining the reduced partition function ratios (RPFR) of all important boron compounds, we have first examined B₂O₃ . The geometrical parameters and spectroscopic data of B₂O₃ in literature have been critically reviewed, and a new force field for B₂O₃ has been computed on the basis of a planar V-shaped (C_2v structure of B₂O₃ . The concept of the Urey-Bradley force field has been used by defining a B...B nonbonded stretching coordinate rather than a B-O-B angle bending. The eigenvalues and eigenvectors obtained by the present normal coordinate analysis agree reasonably well with the spectral data observed by Sommer et al. (1963). The RPFR of 19 pairs of isotopic B₂O₃ molecules have been computed, and implications of the results have been discussed.

収録刊行物

• 地球化学

  地球化学 28 (2), 101-112, 1994-09-10

  一般社団法人日本地球化学会

キーワード

• boron isotope
• partition function ratio
• molecule boron

詳細情報

• CRID: 1390282680718721536
• NII論文ID: 110008679892
• NII書誌ID: AN00141280
• DOI: 10.14934/chikyukagaku.28.101
• ISSN: 21885923
• ISSN: 03864073
• NDL書誌ID: 3889115
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I3889115
• 本文言語コード: ja
• データソース種別:
  • JaLC
  • NDL
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可