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Computational and structural studies on the complexation of cobalt(II) acetate by water and pyridine
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - BMC, Fysikalisk-organisk kemi.ORCID-id: 0000-0002-0407-6542
2012 (engelsk)Inngår i: Journal of Molecular Structure, ISSN 0022-2860, E-ISSN 1872-8014, Vol. 1007, s. 45-51Artikkel i tidsskrift (Fagfellevurdert) 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.

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2012. Vol. 1007, s. 45-51
Emneord [en]
Cobalt, Coordination, Crystal structure, Density functional calculation
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Identifikatorer
URN: urn:nbn:se:uu:diva-171691DOI: 10.1016/j.molstruc.2011.09.050ISI: 000300076200007OAI: oai:DiVA.org:uu-171691DiVA, id: diva2:512068
Tilgjengelig fra: 2012-03-26 Laget: 2012-03-25 Sist oppdatert: 2020-01-22bibliografisk kontrollert

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