Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies

…, B Musielak, P Serda, M Owińska, B Rys

Index: Witosinska, Agnieszka; Musielak, Bogdan; Serda, Pawel; Owinska, Maria; Rys, Barbara Journal of Organic Chemistry, 2012 , vol. 77, # 21 p. 9784 - 9794

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Citation Number: 10

Abstract

The title compounds were synthesized, and their structure and conformational behavior in solution (NMR and DFT), in the gas phase (DFT), and, for some of them, in the solid state (X- ray) were investigated. The variable-temperature NMR spectra were employed to determine the conformational equilibria and the activation energy of the conformational changes of the eight-membered ring. The coalescence effects are assigned to racemization of the chiral ...