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the claim
Chemical bonding involves significant contributions from f orbitals in actinide and lanthanide complexes
the verdict
SUPPORTED
the evidence backs this
Recorded sources
7 sources for · 0 against
Is it true that chemical bonding involves significant contributions from f orbitals in actinide and lanthanide complexes?
Yes. Multiple spectroscopic and quantum-chemical studies confirm that valence f orbitals play a significant and active role in the covalent bonding of lanthanide and actinide complexes.
Verdict: SUPPORTED · 7 sources for, 0 against · Last checked
The analysis
The retrieved literature consistently demonstrates through spectroscopic and computational methods that both lanthanide 4f and actinide 5f orbitals contribute significantly to metal-ligand covalent bonding, supporting the claim without contradictory evidence.
Evidence for · 7
Spectroscopic and computational analyses of cerium metallocenes provide clear evidence for 4f and 5d mixing with ligand orbitals, confirming non-negligible f-orbital contributions to covalent bonding.
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Smiles, D. E., Batista, E. R., Booth, C. H., Clark, D. L., Keith, J. M., Martin, R. L., Minasian, S., Kozimor, S., Shuh, D., Stieber, S., & Tyliszczak, T. (2020). The duality of electron localization and covalency in lanthanide and actinide metallocenes. doi.org. https://doi.org/10.1039/c9sc06114b
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More for · 6
Computational modeling of lanthanide and actinide complexes indicates that valence f- and d-orbitals engage in covalent interactions with ligand donor functionalities.
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Goodwin, C. A. P., Adams, R., Gaunt, A. J., Hanson, S., Janicke, M., Kaltsoyannis, N., Liddle, S., May, I., Miller, J. L., Scott, B. L., Seed, J. A., & Whitehead, G. (2024). N-Heterocyclic Carbene to Actinide d-Based π-bonding Correlates with Observed Metal–Carbene Bond Length Shortening Versus Lanthanide Congeners. doi.org. https://doi.org/10.1021/jacs.3c12721
Quantum-chemical bonding analysis of isostructural lanthanide and actinide amidinates highlights increased covalency within the actinide series, evidenced by greater 5f orbital occupation.
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Hong, B., Näder, A., Sawallisch, T., Bode, T., Fichter, S., Gericke, R., Kaden, P., Patzschke, M., Stumpf, T., Schmidt, M., & März, J. (2024). Structure, Covalency, and Paramagnetism of Homoleptic Actinide and Lanthanide Amidinate Complexes. doi.org. https://doi.org/10.1021/acs.inorgchem.4c01901
Quantum chemical calculations show that actinide complexes feature specific f-electron polarization and backbonding contributions driving covalent character.
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Köhler, L., Patzschke, M., Schmidt, M., Stumpf, T., & März, J. (2021). How 5 f Electron Polarisability Drives Covalency and Selectivity in Actinide N‐Donor Complexes. doi.org. https://doi.org/10.1002/chem.202102849
Studies of actinide oxidation states demonstrate that f- and d-orbitals participate in novel bonding modes and metal-to-ligand back-donation.
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MJ, B., ER, B., & P, Y. (2025). Unlocking Novel δ and φ Bonding Modes in Actinides via Oxidation State Control.. doi.org. https://doi.org/10.1021/jacsau.4c01277
Density functional theory and population analyses confirm that increased 5f-orbital participation contributes significantly to shortened and more covalent metal-ligand bonds in actinide complexes.
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NB, B., C, C., MC, M., JM, S., Z, B., JP, B., DG, M., ZK, H., BN, L., KN, M., RW, M., BM, R., TN, P., & TE, A. (2025). Non-linear bonding trends in maleonitrile-1,2-dithiolate complexes of the transuranium actinides.. doi.org. https://doi.org/10.1038/s41467-025-63129-3
Quantum chemical methods demonstrate that actinide-ligand interactions involve orbital contributions from 5f states that govern bonding trends across the series.
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S, R. C., N, R., & B, V. (2025). Computational Investigation of the Chemical Bond between An(III) Ions and Soft-Donor Ligands.. doi.org. https://doi.org/10.1021/acs.inorgchem.4c03924
What does the evidence say?
The retrieved literature consistently demonstrates through spectroscopic and computational methods that both lanthanide 4f and actinide 5f orbitals contribute significantly to metal-ligand covalent bonding, supporting the claim without contradictory evidence.
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first checked04 Aug 2026
judged → SUPPORTED · 8404 Aug 2026
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