Gas-phase structures of binary cluster ions of 1,4-dioxane and water

Abstract

1,4-Dioxane–water binary cluster ions are produced by supersonic expansion in gas phase. Ionization using an ArF excimer laser for time-of-flight mass spectroscopy reveals significant magic numbers at [(C 4H 8O 2) m (H 2O) n ]H +, ( m, n)=(3,1), (4,2), (5,3), and (6,4). The structures of the stable binary cluster ions are discussed based on density functional theory.