Abstract
The electron spin resonance (ESR) spectra of niobocene and vanadocene dichlorides were studied on the title compounds prepared as magnetically diluted species in polycrystalline form. The resolved super-hyperfine splitting of anisotropic ESR spectra of both studied compounds was firstly observed. Computer simulation confirmed that this super-hyperfine splitting is due to interaction of unpaired electron with nuclear spin of two chlorine ligands. Average value of super-hyperfine coupling constant is 13.3 MHz for niobocene dichloride. For vanadocene dichloride, it is estimated to be in the range of 6-10 MHz. It corresponds approximately to 10% delocalization of metal unpaired electron spin density onto chlorine ligands in case of niobocene dichloride and to 4-7% delocalization in case of vanadocene dichloride.
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