title: Infrared-Driven Charge Transfer in Transition Metal B₁₂F₁₂ Clusters.
abstract: A combination of infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations is used to investigate the structures and charge-transfer properties of clusters containing transition metals (TM = Co(II), Ni(II), Cu(I), Zn(II), Rh(III), Pd(II), Ag(I), Cd(II)) and the dodecafluorododecaboron dianion, B12F12(2-). In all cases, IRMPD resulted in transfer of electron density to the metal center and production of B12F12(-). Metals that exhibit the highest degree of charge transfer are found to induce reaction among the B12F12 cages, leading to production of BnFm (up to n = m = 24).
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: W Scott
authors.initials: WS
authors.lastname: Hopkins
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: Patrick J J
authors.initials: PJ
authors.lastname: Carr
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: Denzel
authors.initials: D
authors.lastname: Huang
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: Kevin P
authors.initials: KP
authors.lastname: Bishop
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: Michael
authors.initials: M
authors.lastname: Burt
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: Terrance B
authors.initials: TB
authors.lastname: McMahon
authors.affiliation: ‡CLIO/LCP Bat. 201, Porte 2, Université Paris-Sud 11, Orsay 91405 Cedex, France.
authors.forename: Vincent
authors.initials: V
authors.lastname: Steinmetz
authors.affiliation: †Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: Eric
authors.initials: E
authors.lastname: Fillion