Inner-shell excitation of boranes and carboranes

Adam P. Hitchcock, Alex T. Wen, Sunwoo Lee, John A. Glass, James T. Spencer, Peter A. Dowben

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

Oscillator strengths for B 1s excitation of two borane cage compounds [nido-pentaborane(9) (B5H9) and nido-decaborane(14) (B10H14)] and for B 1s and C 1s excitation of three carborane cage compounds [closo-o-carborane (C2B10H12), nido-2,3-diethyl-2,3-dicarbahexaborane [(C2H5)2C2B4H 6], and 1,2-dicarbaundecaborane-(11) (C2B9H11)] have been derived from inner-shell electron energy loss spectra (ISEELS), recorded under electric dipole scattering conditions. The spectral features have been assigned on the basis of spectral comparisons and of the results of semiempirical (MNDO and extended Hückel) molecular orbital calculations. The 1,2-dicarbaundecaborane species was generated in situ by thermal decomposition of the bis(nido-1,2-dicarbaundecaborane)nickel species. The preservation of the nido form of the ligand after decomposition is deduced from the experimental B 1s and C 1s spectra.

Original languageEnglish (US)
Pages (from-to)8171-8181
Number of pages11
JournalJournal of Physical Chemistry
Volume97
Issue number31
DOIs
StatePublished - Jan 1 1993

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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    Hitchcock, A. P., Wen, A. T., Lee, S., Glass, J. A., Spencer, J. T., & Dowben, P. A. (1993). Inner-shell excitation of boranes and carboranes. Journal of Physical Chemistry, 97(31), 8171-8181. https://doi.org/10.1021/j100133a010