ホウ素同位体地球化学に関する理論研究のためのB_2O_3同位体分子の換算分配関数比について

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概要

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• 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 B_2O_3. The geometrical parameters and spectroscopic data of B_2O_3 in literature have been critically reviewed, and a new force field for B_2O_3 has been computed on the basis of a planar V-shaped (C_<2v> structure of B_2O_3. 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 B_2O_3 molecules have been computed, and implications of the results have been discussed.

• 日本地球化学会の論文
• 1994-09-10

著者

• 武蔵 正明

  (現)東京工業大学原子炉工学研究所

• 石田 孝信

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

• 石田 孝信

  Epartment Of Chemistry State University Of New York At Stony Brock

関連論文

• ホウ素同位体地球化学に関する理論研究のためのB_2O_3同位体分子の換算分配関数比について

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