title: A Matrix Isolation and Computational Study of Molecular Palladium Fluorides: Does PdF6 Exist?
abstract: Palladium atoms generated by thermal evaporation and laser ablation were reacted with and trapped in F2/Ar, F2/Ne, and neat F2 matrices. The products were characterized by electronic absorption and infrared spectroscopy, together with relativistic density functional theory calculations as well as coupled cluster calculations. Vibrational modes at 540 and 617 cm(-1) in argon matrices were assigned to molecular PdF and PdF2, and a band at 692 cm(-1) was assigned to molecular PdF4. A band at 624 cm(-1) can be assigned to either PdF3 or PdF6, with the former preferred from experimental considerations. Although calculations might support the latter assignment, our conclusion is that in these detailed experiments there is no convincing evidence for PdF6.
authors.affiliation: Department of Chemistry, The University of Hull , Kingston upon Hull HU6 7RX, U.K.
authors.forename: Antony V
authors.initials: AV
authors.lastname: Wilson
authors.affiliation: School of Chemistry, The University of Sydney , NSW 2006, Australia.
authors.forename: Timothy
authors.initials: T
authors.lastname: Nguyen
authors.affiliation: Institut für Chemie und Biochemie-Anorganische Chemie, Freie Universität Berlin , Fabeckstrasse 34-36, D-14195 Berlin, Germany.
authors.forename: Felix
authors.initials: F
authors.lastname: Brosi
authors.affiliation: Department of Chemistry, University of Virginia , Charlottesville, Virginia 22904-4319, United States.
authors.forename: Xuefeng
authors.initials: X
authors.lastname: Wang
authors.affiliation: Department of Chemistry, University of Virginia , Charlottesville, Virginia 22904-4319, United States.
authors.forename: Lester
authors.initials: L
authors.lastname: Andrews
authors.affiliation: Institut für Chemie und Biochemie-Anorganische Chemie, Freie Universität Berlin , Fabeckstrasse 34-36, D-14195 Berlin, Germany.|Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg , Albertstrasse 21, D-79104 Freiburg im Breisgau, Germany.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Riedel
authors.affiliation: School of Chemistry, The University of Sydney , NSW 2006, Australia.
authors.forename: Adam J
authors.initials: AJ
authors.lastname: Bridgeman
authors.affiliation: Department of Chemistry, The University of Hull , Kingston upon Hull HU6 7RX, U.K.
authors.forename: Nigel A
authors.initials: NA
authors.lastname: Young