PARAMAGNETIC ORGANOMETALLIC MOLECULES .6. LINE WIDTHS AND LINE-SHAPES IN ESR-SPECTRA OF ORGANOMETALLIC RADICALS

被引:33
作者
PEAKE, BM
RIEGER, PH
ROBINSON, BH
SIMPSON, J
机构
[1] Chemistry Department, University of Otago, Dunedin, New Zealand
关键词
D O I
10.1021/ic50194a025
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The sources of line broadening and line-shape distortion in isotropic ESR spectra of organometallic radicals containing two or more equivalent nuclei have been examined in some detail. Second-order hyperfine splittings are shown to lead to asymmetric line shapes in both isotropic and frozen-solution spectra. The X-band and Q-band ESR spectra of the C6H5CCo3(CO)9 radical anion have been analyzed as a test of the theory. Computer simulations of the experimental isotropic spectra show that the principal line-width contribution results from incomplete averaging of anisotropies in the g and hyperfine tensors. © 1979, American Chemical Society. All rights reserved.
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页码:1000 / 1005
页数:6
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