title: Experimental and theoretical studies of the interaction of silver cluster cations Ag(n)+ (n = 1-4) with ethylene.
abstract: Reactions of silver cluster cations Ag(n)+ with ethylene have been studied using a reflectron time-of-flight mass spectrometer. Chemisorbed Ag(n)(C2H4)(m)+ (n = 1-3, m = 1-6) complexes were observed. For a given value of n, the abundances of Ag(n)(C2H4)(m)+ (n = 1-3, m = 1-6) species first increase and then decrease, with the maximum of the intensity distribution usually at m = 4. This maximum does not change with the ethylene concentration in the mixed gas, the stagnation pressure of the mixed gas, or the size of Ag(n) + (n = 1-3). A complementary extensive theoretical study on the structure and binding of Ag(n)(C2H4)(m)+ (n = 1-4, m = 1-4) is also reported. Preferred binding sites, binding energies, geometries, vibrational frequencies, and ionization potentials are determined using density functional theory.
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Center of Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, P.R. China. tian@chem.umn.edu
authors.forename: Zhixin
authors.initials: Z
authors.lastname: Tian
authors.forename: Zichao
authors.initials: Z
authors.lastname: Tang
mesh_terms: D002412:Cations; D003102:Colloids / Q000032:analysis / Q000737:chemistry; D003198:Computer Simulation; D005030:Ethylenes / Q000032:analysis* / Q000737:chemistry*; D046911:Macromolecular Substances / Q000032:analysis / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D012834:Silver / Q000032:analysis* / Q000737:chemistry*; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*
chemical_list: D002412:Cations; D003102:Colloids; D005030:Ethylenes; D046911:Macromolecular Substances; D012834:Silver; C036216:ethylene