The Crystal Structure and Lattice Energy of Halogen Molecules

スポンサーリンク

概要

• 論文の詳細を見る

• The lattice energy of the crystals of halogen molecules Cl_2 and I_2 is calculated for or thorhombic structure (space group Bmab) and cubic structure (space group Pa3) by varying lattice parameters (a, b, c, and the orientation angle, ψ, of the molecular axes) and finding the minimum of the energy. A Lennard-Jones type potential was assumed between nuclei of the interacting molecules. For chlorine, the following results were obtained: (1) orthorhombic structure: a/2=2.8, b/2=4.1, c/2=2.2(Å), ψ=37°,U=-6426x10^<-16> erg/molecule, (2) cubic structure: a/2=2.92 (Å), U=-6569x10^<-16> erg/molecule. Thus, the cubic structure has a little lower energy than the orthorhombic structure. A similar situation was found for iodine. Possible inappropriate ratio between the two coefficients in the Lennard-Jones potential does not seem to account for the observed stability of the orthorhombic structure.

• 社団法人日本物理学会の論文
• 1962-08-05

著者

• Yamasaki Kyoko

  Department Of Physics Osaka University

• Yamasaki Kyoko

  Department Of Orthopaedic Surgery Kobe Rosai Hospital

関連論文

• Minimum 10-Year Outcome of Decompressive Laminectomy for Degenerative Lumbar Spinal Stenosis
• The Crystal Structure and Lattice Energy of Halogen Molecules
• Exact Solution for the Boundary-Crossing Problem in Genetic Mapping Experiment
• Spin Density Wave in Magnetic Field

スポンサーリンク