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Concerning the theory of chirality functions
Authors:Gerhard Derflinger  Hildegard Keller
Institution:(1) Institut für Statistik der Wirtschaftsuniversität Wien, Franz Klein-Gasse 1, A-1190 Wien, Österreich;(2) Present address: Department of Organic Chemistry, University of Groningen, Zernikelaan, Groningen, Netherlands
Abstract:Within the scope of the theory of chirality functions, qualitatively complete chirality functions are subject to restrictions concerning both generality and applicability. In contrast thereto, the concept of qualitative supercompleteness results in less restrictive requirements for chirality functions. Consequently, the applicability of qualitatively supercomplete chirality functions is unlimited with respect to the number of ligand kinds. Given this concept, a group theoretical treatment is performed supplying the formal conditions of qualitative supercompleteness. Subsequently a construction rule for qualitiatively supercomplete chirality functions is presented, which is elaborated in detail in the appendix. On combining physical considerations with the requirement of qualitative supercompleteness the resulting chirality functions appear to include all the possible interactions within and/or between ligands and skeleton. From both a mathematical and a physical point of view these chirality functions should be adequate for describing the chiroptical properties of molecules belonging to a given skeletal class. Nevertheless, all the other critical objections to the theory of chirality functions remain.
Keywords:Optical activity  Mixtures of non-isomers  Ligand-skeleton  interactions
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