ArticlePhysical chemistry chemical physics : PCCP2018
The nature of frontier orbitals under systematic ligand exchange in (pseudo-)octahedral Fe(ii) complexes.
Article in Physical chemistry chemical physics : PCCP, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 28 citations in OpenAlex.
- Time-Resolved Resonant Inelastic X-ray Scattering Reveals How Orbital Symmetry Alignment Enables C-H Activation.Journal of the American Chemical Society · 2026Article
- Time-resolved IR and X-ray spectroscopy as complementary electronic structure probes of photoinduced ligand-exchange in molybdenum hexacarbonyl.Chemical communications (Cambridge, England) · 2026Article
- Metal-ligand covalency of C-H activating iridium complexes from L-edge valence-to-core resonant inelastic X-ray scattering.Chemical science · 2026Article
- Metal-Ligand Covalency in the Valence Excited States of Metal Dithiolenes Revealed by S 1s3p Resonant Inelastic X-ray Scattering.Journal of the American Chemical Society · 2024Article
- Time-Dependent Resonant Inelastic X-ray Scattering of Pyrazine at the Nitrogen K-Edge: A Quantum Dynamics Approach.Journal of chemical theory and computation · 2024Article
- Accessing metal-specific orbital interactions in C-H activation with resonant inelastic X-ray scattering.Chemical science · 2024Article
- From the Free Ligand to the Transition Metal Complex: FeEDTAInorganic chemistry · 2022Article
- Hole Dynamics in Photoexcited Hematite Studied with Femtosecond Oxygen K-edge X-ray Absorption Spectroscopy.The journal of physical chemistry letters · 2022Article
- Following Metal-to-Ligand Charge-Transfer Dynamics with Ligand and Spin Specificity Using Femtosecond Resonant Inelastic X-ray Scattering at the Nitrogen K-Edge.The journal of physical chemistry letters · 2021Article
- Revealing the bonding of solvated Ru complexes with valence-to-core resonant inelastic X-ray scattering.Chemical science · 2021Article
- Probing Solute-Solvent Interactions of Transition Metal Complexes Using L-Edge Absorption Spectroscopy.The journal of physical chemistry. B · 2020Article
- Chemical control of competing electron transfer pathways in iron tetracyano-polypyridyl photosensitizers.Chemical science · 2020Article
- Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering.Nature communications · 2020Article
- Covalency-Driven Preservation of Local Charge Densities in a Metal-to-Ligand Charge-Transfer Excited Iron Photosensitizer.Angewandte Chemie (International ed. in English) · 2019Article
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Authors and funding
10 authors at 4 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Understanding and controlling properties of transition metal complexes is a crucial step towards tailoring materials for sustainable energy applications. In a systematic approach, we use resonant inelastic X-ray scattering to study the influence of ligand substitution on the valence electronic structure around an aqueous iron(ii) center. Exchanging cyanide with 2-2'-bipyridine ligands reshapes frontier orbitals in a way that reduces metal 3d charge delocalization onto the ligands. This net decrease of metal-ligand covalency results in lower metal-centered excited state energies in agreement with previously reported excited state dynamics. Furthermore, traces of solvent-effects were found indicating a varying interaction strength of the solvent with ligands of different character. Our results demonstrate how ligand exchange can be exploited to shape frontier orbitals of transition metal complexes in solution-phase chemistry; insights upon which future efforts can built when tailoring the functionality of photoactive systems for light-harvesting applications.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.