Experimental and theoretical studies of the interaction of silver cluster cations Ag(n)+ (n = 1-4) with ethylene.

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. (c) 2005 John Wiley & Sons, Ltd.