An unprecedented hexanuclear heterotrimetallic Fe/Cu/Co complex bearing two Cu(μ-O)2Co(μ-O)2Fe cores is easily prepared by self-assembly and acts as a remarkable catalyst for the peroxidative oxidation of cycloalkanes under mild conditions.
The supramolecular architecture of crystals of five fused hydrocarbons has been analyzed using an approach based on consideration of the energy of intermolecular interactions. This method allows unambiguous recognition of strongly bonded fragments of crystals which may be considered as the basic structural motif (BSM) of crystal packing. Replacement of molecules by energy-vector diagrams (hedgehogs) of their intermolecular interactions represents a very efficient tool for the graphical representation of crystal structure from the viewpoint of topology of intermolecular interactions, giving the possibility for easy determination of BSM. Application of this approach to crystal structures of fused hydrocarbons demonstrated the existence of two types of basic structural motifs, namely columns and layers. The presence of a specific BSM and its character (flat or corrugated) depends on the general shape of the molecule. Both basic structural motifs may exist in one crystal structure as different levels of crystal organization, or primary (columns) and secondary (layers of columns) basic structural motifs.
22 January 2014 in Physical Chemistry Chemical Physics
Analysis of the strengths and directionality of intermolecular interactions in the crystals containing only one type of supramolecular synthon allows the suggestion of a general classification of molecular crystals depending on type of their basic structural motifs. All crystals may be divided on four classes namely (I) crystals with isotropic packing of the building units; (II) columnar crystals where the basic structural motif (BSM) is a chain/column; (III) layered crystals with layers as the BSM; (IV) columnar-layered crystals containing chains/columns as the primary basic structural motif and layers as the secondary BSM. Taking into account the participation of different supramolecular synthons in the formation of different levels of the organization of molecular crystals, they may be considered as basic (responsible for the formation of molecular complexes as building units of crystals), primary, secondary and auxiliary, which are involved in the agglomeration of molecules in primary or secondary basic structural motifs or in the packing of these motifs, respectively. The ranking of supramolecular synthons depends on values of energies of intermolecular interactions and it is individual for each crystal.
10 July 2014 in European Journal of Inorganic Chemistry