Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals
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) >&am...
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| Format: | Journal Article |
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CSIRO PUBLISHING
2003
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| Online Access: | http://www.publish.csiro.au/nid/52/issue/714.htm http://hdl.handle.net/20.500.11937/3831 |
| _version_ | 1848744339161743360 |
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| author | Carter, Damien Ogden, Mark Rohl, Andrew |
| author_facet | Carter, Damien Ogden, Mark Rohl, Andrew |
| author_sort | Carter, Damien |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T05:59:53Z |
| format | Journal Article |
| id | curtin-20.500.11937-3831 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T05:59:53Z |
| publishDate | 2003 |
| publisher | CSIRO PUBLISHING |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-38312017-01-30T10:34:21Z Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals Carter, Damien Ogden, Mark Rohl, Andrew sodium chloride molecular modelling crystal growth 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. 2003 Journal Article http://hdl.handle.net/20.500.11937/3831 http://www.publish.csiro.au/nid/52/issue/714.htm CSIRO PUBLISHING fulltext |
| spellingShingle | sodium chloride molecular modelling crystal growth Carter, Damien Ogden, Mark Rohl, Andrew Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals |
| title | Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals |
| title_full | Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals |
| title_fullStr | Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals |
| title_full_unstemmed | Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals |
| title_short | Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals |
| title_sort | experimental and computational studies of incorporation of cyano transition metal complexes in potassium chloride crystals |
| topic | sodium chloride molecular modelling crystal growth |
| url | http://www.publish.csiro.au/nid/52/issue/714.htm http://hdl.handle.net/20.500.11937/3831 |