title: Ab initio investigation of the hydration of the tetrahedral perchlorate, perbromate, selenate, arsenate, and vanadate anions.
abstract: The geometries, energies, and vibrational frequencies of various isomers of XO(4)(m-)(H2O)n, x = Cl, Br, Se, As, V; n = 0-6, m = 1-3 are calculated at various levels up to MP2/6-31+G*. These properties are studied as a function of increasing cluster size. The experimental and theoretical vibrational spectra are compared where available.
authors.affiliation: Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada.
authors.forename: Cory C
authors.initials: CC
authors.lastname: Pye
authors.forename: Victoria E J
authors.initials: VE
authors.lastname: Walker