title: Infrared spectra and structures of the Th(OH)2 and Th(OH)4 molecules.
abstract: Thorium atoms react with H2O2, H2 + O2 mixtures, and H2O in excess argon to form the Th(OH)2 and Th(OH)4 molecules as minor and major products, respectively. The vibrational frequencies observed in the matrix infrared spectra are in excellent agreement with MP2 computed values, which confirms the identification of these highly ionic thorium hydroxide molecules. Our MP2 calculations converge to slightly bent and tetrahedral structures, respectively. This investigation reports the first evidence for pure actinide dihydroxide and tetrahydroxide molecules.
authors.affiliation: Department of Chemistry, University of Virginia, McCormick Road, P. O. Box 400319, Charlottesville, VA 22904-4319, USA.
authors.forename: Xuefeng
authors.initials: X
authors.lastname: Wang
authors.forename: Lester
authors.initials: L
authors.lastname: Andrews
mesh_terms: D003903:Deuterium; D006861:Hydrogen Peroxide / Q000737:chemistry*; D006878:Hydroxides / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D017970:Thorium Compounds / Q000737:chemistry*
chemical_list: D006878:Hydroxides; D017970:Thorium Compounds; D003903:Deuterium; D006861:Hydrogen Peroxide