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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Incorporation of Cyano Transition Metal Complexes in KCl Crystals—Experimental and Computational Studies

Damien J. Carter, Mark I. Ogden and Andrew L. Rohl

Australian Journal of Chemistry 56(7) 675 - 678
Published: 30 June 2003

Abstract

Experimental and computational studies of the incorporation of hexacyanoferrate(II), hexacyanocobaltate(III), and hexacyanoferrate(III) into potassium chloride crystals are described. The experimental results showed that the extent of incorporation follows the trend hexacyanoferrate(II) » hexacyanoferrate(III) > hexacyanocobaltate(III). Computational modelling produced replacement energies that match the experimental trend. The calculated geometry of the incorporated complexes was also found to match well with previous experimental results.

https://doi.org/10.1071/CH02260

© CSIRO 2003

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