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  • Author: Enrique J. Baran x
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Abstract

A complete assignment of the fundamental vibrations of the tetrahedral TeO4 2- ion is proposed and its principal force constants have been calculated using the modified valence force field. Mean amplitudes of vibration and bond orders are also estimated. The results are briefly discussed and some comparisons with related species are made.

Vibrational Properties and Thermodynamic Functions of Mn2O7

The main force constants for Mn2O7 have been calculated from recently reported infrared data, using a simplified molecular model. Mean amplitudes of vibration and thermodynamic functions are also reported. The results are briefly discussed and some comparisons with related species are made.

Abstract

The force constants and mean amplitudes of vibration for the PO4 3- ions present in the AnPO4 lattices (An = Am, Cm. Bk, Cf, Es) have been calculated from recently reported Raman data. Some comparisons made with the structurally related lanthanide orthophosphates show an analogous vibrational behaviour for both series of compounds.

Abstract

The principal force constants for ReF6 + have been calculated using the GVFF. Mean amplitudes of vibration and bond orders are also estimated. The results are briefly discussed and some comparisons with related species are made.

Abstract

Mean Amplitudes of Vibration for the Tetrahalogeno Aluminates Mean amplitudes of vibration for the A1X4~ ions (X = F, CI, Br, I) have been calculated from known spectroscopic data, using the L-Matrix Method. The results are briefly discussed, especially in relation with those of isoelectronic species.

Abstract

In an earlier work we have theoretically derived and explained certain rules relating the ν1/v3 frequency ratio of tetrahedral oxoanions of the transition metals with some basic properties of the anions. It is now demonstrated that these rules are also valid for oxoanions of the main group elements of the periodic system. Applying these and other relations it was possible to predict the value of the symmetric stretching frequency ν1(A1) of xenon tetroxide. Some vibrational properties of XeO4 (force constants, mean amplitudes of vibration, the Coriolis coupling constant and the bond order) are also calculated and compared with those of related species.

Abstract

It is shown for many molecules and ions that the "Methode der charakteristischen Schwingungen" of Müller is usefull for the calculation of mean amplitudes of vibrations if the vibrations are rather characteristic.

Mean amplitudes of vibration for the ions SF5 -, SeF5 - and TeF5 - have been calculated from spectroscopic data using an approximation method. The results are briefly discussed, especially in relation with those of isoelectronic species.

The IR spectrum of LaGaO3 is reported and discussed in comparison with those of related compounds. The valence force constant for the Ga–O bonds is also estimated.