engleski

Preparation and conformational analysis of heteroannularly substituted ferrocene ester-amides and diamides

Symmetrically substituted bioconjugates of ferrocene-1, 1’ -dicarboxylic acid – Fn(CO-AA1-2-OMe)2 (Fn = ferrocene-1, 1’ -diyl, AA = l-a-amino acid, n = 1 – 2) (type I conjugates) – have been extensively studied, especially with the focus on applications as turn mimetica. Having in mind the conformational characteristics of type I conjugates, we aimed to investigate intramolecular hydrogen bonding (IHB) patterns of related asymmetrically substituted derivatives of ferrocene-1, 1’ -dicarboxylic acid belonging to type II (MeNHCO-Fn-CO-AA-OMe) and type III (MeNHCO-Fn-CO-AA-NHMe) in order to understand individual conformational preferences

conformation analysis; density functional calculations; hydrogen bonds; metallocenes; molecular modelling

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