Experimental and theoretical study on cation-π interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state

Abstract

By employing electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the [7]helicene–Ag+ complex (i.e., [Ag(C30H18)]+) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C30H18)]+ was derived. Finally, in the solid state, the complex [7]helicene–silver triflate–1.5 hydrate (i.e., C30H18–AgCF3SO3–1.5 H2O), crystallizing in the orthorhombic system with the centro-symmetric Pccn space group, was prepared and analyzed by X-ray crystallography.