Orientational disorder in the one-dimensional coordination polymercatena-poly[[bis(acetylacetonato-κ2O,O′)cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ2N1:N4]
Abstract:The one-dimensional coordination polymer, self-assembled from bis(acetylacetonato)cobalt(II) units as metal–complex connectors and 1,4-diazabicyclo[2.2.2]octane (DABCO) as linkers, can serve for a comparative investigation of the magnetic behaviour of analogous compounds. Space filling more symmetric than atom positions leads to pronounced orientational disorder for the DABCO ligand.
“…Recently Morawiec has made a case for using crystallographic bases as an alternative[49], but this is not common at present 2. This is consistent with the definition chosen in MTEX.…”
Determining the local orientation of crystals in engineering and geological materials has become routine with the advent of modern crystallographic mapping techniques. These techniques enable many thousands of orientation measurements to be made, directing attention towards how such orientation data are best studied. Here, we provide a guide to the visualization of misorientation data in three-dimensional vector spaces, reduced by crystal symmetry, to reveal crystallographic orientation relationships. Domains for all point group symmetries are presented and an analysis methodology is developed and applied to identify crystallographic relationships, indicated by clusters in the misorientation space, in examples from materials science and geology. This analysis aids the determination of active deformation mechanisms and evaluation of cluster centres and spread enables more accurate description of transformation processes supporting arguments regarding provenance.
“…Recently Morawiec has made a case for using crystallographic bases as an alternative[49], but this is not common at present 2. This is consistent with the definition chosen in MTEX.…”
Determining the local orientation of crystals in engineering and geological materials has become routine with the advent of modern crystallographic mapping techniques. These techniques enable many thousands of orientation measurements to be made, directing attention towards how such orientation data are best studied. Here, we provide a guide to the visualization of misorientation data in three-dimensional vector spaces, reduced by crystal symmetry, to reveal crystallographic orientation relationships. Domains for all point group symmetries are presented and an analysis methodology is developed and applied to identify crystallographic relationships, indicated by clusters in the misorientation space, in examples from materials science and geology. This analysis aids the determination of active deformation mechanisms and evaluation of cluster centres and spread enables more accurate description of transformation processes supporting arguments regarding provenance.
“…In addition, several authors have reported the synthesis of extended metal-containing crystal networks through metal–organic frameworks − and coordination polymers − and, in a smaller proportion, through the use of intermolecular interactions.…”
We present a new approach for the construction of 1-D chains of acac-based copper coordination compounds assembled through π−π aromatic interactions. We use 3-(phenylethynyl)pyridine derivatives as ligands that can establish aromatic interactions to intermolecularly bind the coordination compounds. The crystal networks of the free pyridines show that there is no control over aromatic interactions, since different interactions are present. On the other hand, the supramolecular behavior of the coordination compounds is very homogeneous since, in all of the crystal networks, the intended 1-D chains are present. Given the polarization of the aromatic rings due to coordination, reflected in the calculated molecular electrostatic potential maps, we gain control over the π−π interaction geometry, promoting a head to tail interaction between the coordinated 3-(phenylethynyl)pyridines. This strategy to constructing 1-D chains is reliable and reproducible; thus, these types of π−π aromatic interactions are a useful supramolecular tool to control the molecular assembly in the solid state.
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