Photofragmentation of closo-Carboranes Part 1: Energetics of Decomposition

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• 作者：Danqin Feng ; Jing Liu ; Adam P. Hitchcock ; A. L. David Kilcoyne ; Tolek Tyliszczak ; Norman F. Riehs ; Eckart Rü ; hl ; John D. Bozek ; David McIlroy ; ^$ ; Peter A. Dowben
• 刊名：Journal of Physical Chemistry A
• 出版年：2008
• 出版时间：April 17, 2008
• 年：2008
• 卷：112
• 期：15
• 页码：3311 - 3318
• 全文大小：297K
• 年卷期：v.112,no.15(April 17, 2008)
• ISSN：1520-5215

文摘

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 threemolecules are quite similar. Thermodynamic cycles are constructed for neutral and ionic species in an attemptto systemically characterize single-ion closo-carborane creation and fragmentation processes. Lower energydecomposition processes are favored. Among the ionic species, the photon-induced decomposition is dominatedby BH⁺ and BH₂⁺ fragment loss. Changes in ion yield associated with core to bound excitations are observed.