title: Photofragmentation of closo-carboranes part 1: Energetics of decomposition.
abstract: The ionic fragmentation following B 1s and C 1s excitation of three isomeric carborane cage compounds [closo-dicarbadodecaboranes: orthocarborane (1,2-C2B10H12), metacarborane (1,7-C2B10H12), and paracarborane (1,12-C2B10H12)] is compared with the energetics of decomposition. The fragmentation yields for all three molecules are quite similar. Thermodynamic cycles are constructed for neutral and ionic species in an attempt to systemically characterize single-ion closo-carborane creation and fragmentation processes. Lower energy decomposition processes are favored. Among the ionic species, the photon-induced decomposition is dominated by BH+ and BH2(+) fragment loss. Changes in ion yield associated with core to bound excitations are observed.
authors.affiliation: Department of Physics and Astronomy and the Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588-0111, USA.
authors.forename: Danqin
authors.initials: D
authors.lastname: Feng
authors.forename: Jing
authors.initials: J
authors.lastname: Liu
authors.forename: Adam P
authors.initials: AP
authors.lastname: Hitchcock
authors.forename: A L David
authors.initials: AL
authors.lastname: Kilcoyne
authors.forename: Tolek
authors.initials: T
authors.lastname: Tyliszczak
authors.forename: Norman F
authors.initials: NF
authors.lastname: Riehs
authors.forename: Eckart
authors.initials: E
authors.lastname: Rühl
authors.forename: John D
authors.initials: JD
authors.lastname: Bozek
authors.forename: David
authors.initials: D
authors.lastname: McIlroy
authors.forename: Peter A
authors.initials: PA
authors.lastname: Dowben