title: Experimental and theoretical study on gas-phase ion/molecule reactions of silver trimer cation, Ag3+, with 12-crown-4.
abstract: The reaction mechanisms of silver trimer cation, Ag3+, with 12-crown-4 (12C4) were studied experimentally and theoretically. Using a cylindrical ion trap time-of-flight mass spectrometer, gas-phase ion/molecule reactions of Ag3+ with 12C4 were observed. Metal-ligand complexes of [Ag(12C4)]+, [Ag3(12C4)]+ and [Ag3(12C4)2]+, and of [Ag(12C4)2]+ and [Ag3(12C4)3]+, were observed as the reaction intermediates and terminal products, respectively. The formations of the [Ag12C4]+ and [Ag(12C4)2]+ complexes indicated that the neutral dimer (Ag2) had been eliminated from the trimer cation. From the results of ab initio calculations at the HF/LanL2DZ level of theory and the experiments, it is suggested that three 12C4 molecules can attach to Ag3+ through consecutive reactions and that neutral Ag2 can be easily eliminated from [Ag3(12C4)]+.
authors.affiliation: Department of Physics, Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan. kumondai-k@aist.go.jp
authors.forename: Kousuke
authors.initials: K
authors.lastname: Kumondai
authors.forename: Michisato
authors.initials: M
authors.lastname: Toyoda
authors.forename: Morio
authors.initials: M
authors.lastname: Ishihara
authors.forename: Itsuo
authors.initials: I
authors.lastname: Katakuse
authors.forename: Takae
authors.initials: T
authors.lastname: Takeuchi
authors.forename: Mai
authors.initials: M
authors.lastname: Ikeda
authors.forename: Kenichi
authors.initials: K
authors.lastname: Iwamoto