Soft Scorpionate anions as platforms for novel heterocycles

Rajasekharan Nair, Rajeev and Marckwordt, Annemarie and Lutta, Samuel and Schwalbe, Matthias and Biernat, Anne and Armstrong, David and Watson, Allan and Kennedy, Alan and Reglinski, John and Spicer, Mark (2013) Soft Scorpionate anions as platforms for novel heterocycles. Chemistry - A European Journal, 19 (40). 13561–13568. ISSN 0947-6539

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Abstract

Soft scorpionates have thus far been seen mainly as a family of ligands. Their chemistry is extended here to the production of novel cationic macrocycles using dihaloalkanes. By replacing the dihaloalkanes with mild oxidising agents (NO+, I2) we obtain two unique polycyclic heterocycles. The mechanism which leads to the formation of these polycyclic heterocycles is investigated using ab-initio DFT calculations.