Potassium-encapsulated arsenic-dithiolato compounds: synthesis, structural calculation, and biological relevance

Abstract

This study based on the synthesis, characterization, and structural calculation of small molecular potassium-encapsulated arsenic-dithiolato compounds will provide fundamental knowledge about arsenic metabolism behavior in biological system. Two novel air-stable potassium-encapsulated arsenic-dithiolato compounds, [K@As(2)(L1)(3)](BF(4)) (1) and [K@As(2)(L2)(3)](BF(4)) (2), were prepared using deprotonated 2,6-bis(mercaptomethyl)pyridine (L1H(2)) and 1,3-dimercapto-m-xylene (L2H(2)) to react with AsCl(3) in the presence of potassium cation. Compounds 1 and 2 have been characterized by electrospray ionization-mass spectra, nuclear magnetic resonance spectra, and elemental microanalysis. Density functional theory calculation also supports the formation and binding properties of the potassium-encapsulated arsenic-dithiolato compounds.