This presentation outlines the synthesis and molecular structures of a novel N‑heterocyclic thione (NHT) ligand derived from caffeine, which we abbreviate CaffSMe, and its selenium analogue, CaffSeMe. We have started a systematic study of the coordination chemistry of these soft donor ligands, and this presentation will outline the preparation and full characterization of mercury(II), copper(I) and gold(I) complexes thereof, namely (CaffEMe)nHgX2 (E = S, Se; n = 1, 2; X = Cl, Br, I), (CaffEMe)CuX (E = S, Se; X = Cl, Br, I), and (CaffEMe)AuX (E = S, Se; X = Cl, Br). Electrospray ionization mass spectrometry (ESI-MS) data for these complexes in acetonitrile solution will also be discussed in this presentation.

Closed-shell metal complexes of caffeine sulfide and selenide

249th National Meeting (2015)

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