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Covalent Bonding and the Trans Influence in Lanthanide Compounds

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journal contribution
posted on 18.01.2010, 00:00 by Karsten Krogh-Jespersen, Michael D. Romanelli, Jonathan H. Melman, Thomas J. Emge, John G. Brennan
A pair of mer-octahedral lanthanide chalcogenolate coordination complexes [(THF)3Ln(EC6F5)3 (Ln = Er, E = Se; Ln = Yb, E = S)] have been isolated and structurally characterized. Both compounds show geometry-dependent bond lengths, with the Ln−E bonds trans to the neutral donor tetrahydrofuran (THF) significantly shorter than the Ln−E bonds that are trans to negatively charged EC6F5 ligands. Density functional theory calculations indicate that the structural trans influence evidenced by the differences in these bond lengths results from a covalent Ln−E interaction involving ligand p and Ln 5d orbitals.