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Computational and structural studies on the complexation of cobalt(II) acetate by water and pyridine
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Physical Organic Chemistry.
2012 (English)In: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1007, 45-51 p.Article in journal (Refereed) Published
Abstract [en]

Four different complexes of the cobalt(II) acetate-pyridine-water system were obtained as dominant species by crystallization from a series of dichloromethane and toluene solutions. The complexes were characterized by terms of X-ray crystal structure determination. Factors in solution properties leading to crystallization of certain complexes are discussed. Furthermore, trends in terms of structure and binding energies in a systematic series of mononuclear cobalt(II) complexes were studied using density functional calculations.

Place, publisher, year, edition, pages
2012. Vol. 1007, 45-51 p.
Keyword [en]
Cobalt, Coordination, Crystal structure, Density functional calculation
National Category
Chemical Sciences
URN: urn:nbn:se:uu:diva-171691DOI: 10.1016/j.molstruc.2011.09.050ISI: 000300076200007OAI: oai:DiVA.org:uu-171691DiVA: diva2:512068
Available from: 2012-03-26 Created: 2012-03-25 Last updated: 2012-03-26Bibliographically approved

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Nicholls, Ian A.
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