title: "Single sample concept": theoretical model for a combinatorial approach to solid-state inorganic materials.
abstract: A theoretical model for a "single sample concept" (SSC) applied to the combinatorial chemistry of solid-state inorganic compounds is presented. The SSC is performed by reacting N starting materials (randomly mixed) in a single sample of approximately 1 cm(3). Combinatorial calculations demonstrate that the number of reasonably estimated phases to be found in the space of N components grouped into compounds (e.g. oxides, sulfides, or halogenides) containing up to q < or = 6 metallic elements is smaller than combinations set up by starting conditions for local reactions within the bulk of a single ceramic sample. Recently, the SSC proved to work in the case of synthesizing libraries of 3d metal oxides, from which magnetic particulate matter was extracted by a magnetic separation technique. The SSC may be applied in a first screening cycle followed by 2D approaches of combinatorial chemistry.
authors.affiliation: Department of Chemistry and Biochemistry, University Berne, Freiestrasse 3, 3012 Berne, Switzerland. juerg.hulliger@iac.unibe.ch
authors.forename: Jürg
authors.initials: J
authors.lastname: Hulliger
authors.forename: Muhammad Aslam
authors.initials: MA
authors.lastname: Awan
mesh_terms: D020650:Combinatorial Chemistry Techniques; D007287:Inorganic Chemicals / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation
chemical_list: D007287:Inorganic Chemicals