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Modelluntersuchungen zur Simulierung von LIS. II.1 2-, 3-und 7-substituierte 1-Indanone

Model calculations on LIS. II1. 2-, 3- and 7-substituted indanones. Influence of the substituents on the lanthanide position using the one site or two site model for coordination to the carbonyl group

Einfluß der Substituenten auf die Lanthanidenposition nach dem Einfach- bzw. Zweifach-Koordinationsmodell

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The space close to the coordination site of1-indanone is modified systematically by placing alkyl groups of different bulkiness on C-2, C-3 and C-7, resp. The1H-LIS for the compounds are interpreted using the one site and two site model for carbonyl. Precautionary measures are discussed for both models to give reliable results in the calculation.

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Herrn Prof.O. E. Polansky mit den besten Wünschen zum 60. Geburtstag gewidmet.

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Hofer, O. Modelluntersuchungen zur Simulierung von LIS. II.1 2-, 3-und 7-substituierte 1-Indanone. Monatshefte für Chemie 110, 745–753 (1979).

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  • Carbonyl compounds
  • LIS-models
  • Lanthanide induced shifts