Inner-Shell Excitation Spectroscopy of closo-Carboranes

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• 作者：Adam P. Hitchcock ; Stephen G. Urquhart ; Alex T. Wen ; A. L. David Kilcoyne ; Tolek Tyliszczak ; Eckart Rü ; hl ; Nobuhiro Kosugi ; John D. Bozek ; James T. Spencer ; David N. McIlroy ; and Peter A. Dowben
• 刊名：Journal of Physical Chemistry B
• 出版年：1997
• 出版时间：May 1, 1997
• 年：1997
• 卷：101
• 期：18
• 页码：3483 - 3493
• 全文大小：370K
• 年卷期：v.101,no.18(May 1, 1997)
• ISSN：1520-5207

文摘

Oscillator strength spectra in the region of B 1s andC 1s excitation of three isomeric carborane cage compounds[closo-1,2-orthocarborane,closo-1,7-metacarborane,closo-1,12-paracarborane(C₂B₁₀H₁₂)] have beenderivedfrom inner-shell electron energy loss spectra (ISEELS) recorded underelectric dipole-scattering conditions.Total ion yield spectra recorded at high resolution withsynchrotron radiation are also reported. The spectralfeatures are assigned on the basis of comparisons with spectralpredictions derived from the results of abinitio and semiempirical (extended Hückel) molecular orbitalcalculations. The isomeric and core levelvariations in the discrete core excitations are related to changes inorbital symmetries as well as variations inelectron localization in these isomers. The ionization efficiencyin the region of the B 1s and C 1s edges isderived.