Metastable metal imidazolates: development of targeted syntheses by combining experimental and theoretical investigations of the formation mechanisms Schröder, Christian A. Saha, Sanjib Huber, Klaus Leoni, Stefano Wiebcke, Michael Inorganic Chemistry Condensed Matter Physics General Materials Science Abstract In this report, we summarize our experimental and theoretical investigations in the zinc(II) imidazolate, [Zn(im)2], and zinc(II) 4,5-dichloroimidazolate, [Zn(dcim)2], systems that have been published previously. This comprises a study on the thermodynamic stabilities of the two densest phases with coi and zni framework structures in the [Zn(im)2] system including the discovery and characterization of a new [Zn(im)2·0.5py]-neb phase (py = pyridine), a study on the mechanism of formation of the [Zn(im)2]-zni phase as well as a study on the discovery and characterization of a new [Zn(dcim)2]-SOD phase. In addition, we present as yet unpublished work. This concerns the discovery and characterization of a new [Zn(im)2·0.5mor]-neb phase (mor = morpholine) and investigations of the mechanisms of crystallization of [Zn(im)2·0.5py]-neb and [Zn(im)2·0.5mor]-neb as well as an evalutation of time-resolved SAXS/WAXS data recorded in-situ during the formation of [Zn(im)2]-zni. Walter de Gruyter GmbH 2014 info:eu-repo/semantics/article doc-type:article text http://purl.org/coar/resource_type/c_6501 https://ris.uni-paderborn.de/record/41841 Schröder CA, Saha S, Huber K, Leoni S, Wiebcke M. Metastable metal imidazolates: development of targeted syntheses by combining experimental and theoretical investigations of the formation mechanisms. <i>Zeitschrift für Kristallographie - Crystalline Materials</i>. 2014;229(12):807-822. doi:<a href="https://doi.org/10.1515/zkri-2014-1788">10.1515/zkri-2014-1788</a> eng info:eu-repo/semantics/altIdentifier/doi/10.1515/zkri-2014-1788 info:eu-repo/semantics/altIdentifier/issn/2196-7105 info:eu-repo/semantics/altIdentifier/issn/2194-4946 info:eu-repo/semantics/closedAccess