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Full normal coordinate analysis and molecular dynamic parameters for the Cr (CN)3− 6 ion

By R. Acevedo and G. Díaz

Abstract

A full normal coordinate analysis for the Cr(CN)3− 6 ion, in octahedral symmetry, has been carried out on the basis of new experimental data, using three different force fields. Consistent sets of force constants have been obtained and utilized to evaluate mean amplitudes of vibration (ℓ), perpendicular amplitude correction coefficients (K) and Shrinkage effects (δ). The capability of the force fields to reproduce the observed vibrational frequencies is discussed in detail. © 1986, Taylor & Francis Group, LLC. All rights reserved

Topics: Cr (CN)3−6, Mean Amplitudes of Vibration, Perpendicular Amplitude Correction Coefficients, Potential Constants, Shrinkage Effects
Publisher: 'Informa UK Limited'
Year: 1986
DOI identifier: 10.1080/00387018608069221
OAI identifier: oai:repositorio.uchile.cl:2250/156062
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