Chemistry - A European Journal · 1998 · 36 citations · 0 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryCrystal StructureInorganic ChemistryAb Initio MethodsCrystal ChemistryCrystallographyOrganic SynthesisStructural ElucidationX-ray CrystallographyAb Initio CalculationsAb Initio Few-body CalculationsAb Initio Molecular CalculationsX-ray Diffraction AnalysisX-ray Structure Determination
The successful generation by co-condensation and X-ray structure analysis of (AlCl⋅EtC≡CEt)4 is described. Surprisingly, two isomers with cagelike Al4C8 frameworks are observed in the crystal structure. Herein, we describe the properties of this compound and the previously synthesized methyl derivative, and of their etherates, together with ab initio calculations for model compounds.