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.

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