Chemical Physics Letters, Vol.635, 355-359, 2015
Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state
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. (c) 2015 Elsevier B.V. All rights reserved.