Abstract
By employing electrospray ionization mass spectrometry, 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 triflate-monohydrate (i.e., C26H16-AgCF3SO3-H2O), crystallizing in the monoclinic system with the centro-symmetric P2(1)/c space group, was prepared and analyzed. The characteristic feature of this complex packing in the solid state is the formation of the separated [6]helicene and silver triflate domains.
In both of these binding modes, the investigated [6]helicene ligand functions as a molecular tweezer for the univalent silver cation.