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The hyperfine structure of electron spin resonance spectrum of tricobalt cluster radical anion CH 3 CCo 3 (CO)
Author(s) -
QingJin Meng,
XiaoZheng You,
HuiZhen Zhu,
TongZheng Jin,
YunXia Xu
Publication year - 1989
Publication title -
acta chimica sinica english edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 0256-7660
DOI - 10.1002/cjoc.19890070103
Subject(s) - chemistry , hyperfine structure , electron paramagnetic resonance , ion , atomic orbital , atom (system on chip) , electron , atomic physics , nuclear magnetic resonance , physics , organic chemistry , quantum mechanics , computer science , embedded system
CH 3 CCo 3 (CO) 9 was synthesized from the reaction between chloralose and Co 2 (CO) 8 . The radical anion was generated by electrochemical reduction, and electron spin resonance spectra in THF were recorded by in situ electrolysis in the sample tube in the ESR cavity at 298 and 110K with the spectral data < g > =2.015, g\documentclass{article}\pagestyle{empty}\begin{document}$$ g_\parallel $$\end{document}=2.013, g\documentclass{article}\pagestyle{empty}\begin{document}$$ g_ \bot $$\end{document}=2.016; < a > = —35.2G, a 1 = —78.6G and a\documentclass{article}\pagestyle{empty}\begin{document}$$ a_ \bot $$\end{document}=—13.5G. The effect on shift of the magnetic resonance field by using the second order perturbation theory was discussed, and the electron spin density on Co atom orbitals 4s, 4p and 3d was calculated, respectively to be 4s: —0.08, 3d: 0.855 and 4p: 0.225.