Beiträge zur Chemie der Pyrrolpigmente, 81. Mitt.: Kraftfeldrechnungen an Gallenfarbstoffen: Die Energiehyperfläche von 2,3-Dihydrobilin-1,19-dionen |
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Authors: | Heinz Falk Norbert Müller Gabriele Streßler |
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Institution: | (1) Institut für Chemie, Johannes-Kepler-Universität Linz, A-4040 Linz, Austria |
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Abstract: | Summary The energy hypersurface of 2,3-dihydrobilin-1,19-diones is analyzed with respect to their conformational aspects using a specialized force field. Estimations of helix interconversion energies, chiral discrimination, geometries of global minima, and relative energies and geometries of diastereomeres compare favourably with available experimental data from the literature. |
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Keywords: | 2 3-Dihydrobilin-1 19-diones Force-field calculations Conformational analysis Energy hypersurface |
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