INNER-SHELL EXCITATION OF BORANES AND CARBORANES

被引:27
|
作者
HITCHCOCK, AP
WEN, AT
LEE, SW
GLASS, JA
SPENCER, JT
DOWBEN, PA
机构
[1] SYRACUSE UNIV, DEPT PHYS, SYRACUSE, NY 13244 USA
[2] SYRACUSE UNIV, DEPT CHEM, SYRACUSE, NY 13244 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 31期
关键词
D O I
10.1021/j100133a010
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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)2C2B4H6], 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 Huckel) 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.
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页码:8171 / 8181
页数:11
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