Geometrical structure of PF5 as studied by gas electron diffraction and spectroscopic data

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Abstract The r g structure of PF 5 is determined by a joint analysis of electron diffraction data and the rotational constants as follows: r g (PF equatorial ) = 1.532(3) A, r g (PF axial ) = 1.580(2) A, where uncertainties represent estimated limits of error. The effective constant representing the bond-stretching anharmonicity of the PF bond, a 3 (PF), is estimated from an analysis of the dependence of the r z structure on the vibrational excitations to the ν 3 and ν 5 states to be 1.4(7) A −1 . By use of this constant, the equilibrium distances of the PF eq and PF ax bonds are estimated to be 1.529(3) and 1.576(3) A, respectively.

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