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The salts (N  n  Bu 4 )[Zn(caffeine)Cl 3 ] and (AsPh 4 )[Pt(caffeine)Cl 3 ] were prepared and their crystal structures determined by single crystal X-ray diffraction. The free ligand caffeine, as well as the complex anions [ M (II)(caffeine)Cl 3 ] −  with  M  = Zn and Pt show an absorption spectrum with an intense band at  λ  max  = 275 nm, which is attributed to an IL π–π* transition of the caffeine. A second band at ca. 300 nm is much weaker and largely obscured by the π–π* band. This second band is assigned to an IL n–π* transition. Both complex anions exhibit a photoluminescence (fluorescence), which originates from the n–π* state. The position of the n–π* state is recognized by the excitation band which distinctly overlaps with the fluorescence band.

zeitschrift für naturforschung b

Synthesis, crystal structure and photoluminescence of the salts Cation +  [ M (caffeine)Cl] −  with Cation + =N  n  Bu 4  + , AsPh 4  +  and  M = = Zn(II), Pt(II)