Abstract
The 91Zr chemical shifts of organozirconium compounds with π-ligands such as η 8-cyclooctatetraene, η 5-cyclopentadienyl, η 3-allyl, and η 4-butadiene involve distinctly different ranges for 16- and 18-electron environments at Zr. Alkyl substitution of the π-ligands leads to changes in δ ( 91Zr) corresponding to the alterations in mean excitation energies of the complexes, indicating that in high valent zirconium compounds the 91Zr shifts are governed by paramagnetic shielding.
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