Force Constants and Average Structures of AsF3 and AsCl3 as Determined by Electron Diffraction and Spectroscopy

概要

論文の詳細を見る
The general quadratic potential constants of AsCl3 have been determined by the use of a combination of the mean amplitudes observed by gas electron diffraction and the vibrational frequencies. Those of AsF3 have been determined from the mean amplitudes, the centrifugal distortion constants given by microwave spectroscopy and the Coriolis coupling constants and the vibrational frequencies given by infrared spectroscopy on the basis of the molecular structure newly-determined by electron diffraction. By using these potential constants, zero-point average structures have been derived from the rg structures obtained by electron diffraction. The results have been found to be consistent with the average rotational constants, Bz, derived from the effective rotational constants, B0, observed by microwave spectroscopy according to the theory of vibration-rotation interactions. The final results, obtained by the use of a combination of the electron diffraction and microwave data, are: & r_z(As-Cl)=2.1621±0.0009 Å, θ_z(ClAsCl)=98°38'±22' & r_z(As-F)=1.7080±0.0004 Å, and θ_z(FAsF)=95°58'±17'. Formulas for calculating the sum of perpendicular mean amplitudes for pyramidal XY3-type molecules have been derived and used to reduce rg to rz.
公益社団法人日本化学会の論文