6]Helicene as a novel molecular tweezer for the univalent silver cation: Experimental and theoretical study

Abstract

By employing electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the [6]helicene–Ag+ complex (i.e., [Ag(C26H16)]+) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C26H16)]+ was derived. Finally, in the solid state, the complex [6]helicene–silver perchlorate–monohydrate (i.e., C26H16–AgClO4–H2O), crystallizing in the monoclinic system with the centro-symmetric P21/c space group, was prepared and analyzed by X-ray crystallography.