0000000001309976

AUTHOR

Roland Schoch

showing 8 related works from this author

Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes

2021

Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes. Financial support from the Deutsche Forschungsge-meinschaft [DFG, Priority Program SPP 2102] "Light-controlled reactivity of metal complexes" (BA 4467/7-1, LO 714/11-1, …

TrisDenticitysynthesisPyridinepyridine derivativecarbenoidIron compoundsCatalysisexperimental studychemistry.chemical_compoundPyridineMaterials Chemistryphysical chemistrycontrolled studyChemistrySinglet oxygenPyridine ligandsSinglet oxygenMetals and AlloysMesoionicGeneral ChemistryNanosecondPyridine ligandSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialsunclassified drugCrystallographyPhotophysicsiron complexisomerCeramics and CompositesCarbeneschemical structurephotodynamicsphysicsExcitationchemical parameters
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Higher MLCT lifetime of carbene iron(ii) complexes by chelate ring expansion

2021

Combining strong σ-donating N-heterocyclic carbene ligands and π-accepting pyridine ligands with a high octahedricity in rigid iron(ii) complexes increases the 3MLCT lifetime from 0.15 ps in the prototypical [Fe(tpy)2]2+ complex to 9.2 ps in [Fe(dpmi)2]2+12+. The tripodal CNN ligand dpmi (di(pyridine-2-yl)(3-methylimidazol-2-yl)methane) forms six-membered chelate rings with the iron(ii) centre leading to close to 90° bite angles and enhanced iron-ligand orbital overlap.

010405 organic chemistryLigandMetals and AlloysGeneral ChemistryOrbital overlap010402 general chemistryRing (chemistry)01 natural sciencesCatalysisPyridine ligand0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographychemistryMaterials ChemistryCeramics and CompositesChelationCarbeneChemical Communications
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Cover Feature: Excited‐State Kinetics of an Air‐Stable Cyclometalated Iron(II) Complex (Chem. Eur. J. 51/2019)

2019

Feature (computer vision)Chemical physicsChemistryExcited stateOrganic ChemistryKineticsCover (algebra)General ChemistryCatalysisChemistry – A European Journal
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Excited-State Kinetics of an Air-Stable Cyclometalated Iron(II) Complex.

2019

The complex class [Fe(N^N^C)(N^N^N)]+ with an Earth-abundant metal ion has been repeatedly suggested as a chromophore and potential photosensitizer on the basis of quantum chemical calculations. Synthesis and photophysical properties of the parent complex [Fe(pbpy)(tpy)]+ (Hpbpy=6-phenyl-2,2'-bipyridine and tpy=2,2':6',2''-terpyridine) of this new chromophore class are now reported. Ground-state characterization by X-ray diffraction, electrochemistry, spectroelectrochemistry, UV/Vis, and X-ray spectroscopy in combination with DFT calculations proves the high impact of the cyclometalating ligand on the electronic structure. The photophysical properties are significantly improved compared to …

010405 organic chemistryChemistryLigandOrganic ChemistryChemieGeneral ChemistryElectronic structureChromophore010402 general chemistryElectrochemistryPhotochemistry01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundBipyridineExcited stateTriplet stateTerpyridineChemistry (Weinheim an der Bergstrasse, Germany)
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Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries

2021

Within this article, it is shown that an electrochemical defluorination and additional fluorination of Ruddlesden–Popper-type La2NiO3F2 is possible within all-solid-state fluoride-ion batteries. St...

Materials scienceGeneral Chemical EngineeringInorganic chemistry02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyElectrochemistry01 natural sciencesRedox0104 chemical sciencesIonchemistry.chemical_compoundchemistryMaterials Chemistry0210 nano-technologyFluorideChemistry of Materials
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CCDC 2050317: Experimental Crystal Structure Determination

2021

Related Article: Philipp Dierks, Ayla Kruse, Olga S. Bokareva, Mohammed J. Al-Marri, Jens Kalmbach, Marc Baltrun, Adam Neuba, Roland Schoch, Stephan Hohloch, Katja Heinze, Michael Seitz, Oliver Kühn, Stefan Lochbrunner, Matthias Bauer|2021|Chem.Commun.|57|6640|doi:10.1039/D1CC01716K

Space GroupCrystallographyCrystal Systembis[26-bis(1-ethyl-1H-123-triazol-4-yl)pyridine]-iron(ii) bis[hexafluorophosphate] dichloromethane solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1904835: Experimental Crystal Structure Determination

2020

Related Article: Jakob Steube, Lukas Burkhardt, Ayla Päpcke, Johannes Moll, Peter Zimmer, Roland Schoch, Christoph Wölper, Katja Heinze, Stefan Lochbrunner, Matthias Bauer|2019|Chem.-Eur.J.|25|11826|doi:10.1002/chem.201902488

[2-([22'-bipyridin]-6-yl)phenyl]-(22':6'2''-terpyridine)-iron tetraphenylborate dichloromethane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2049729: Experimental Crystal Structure Determination

2021

Related Article: Philipp Dierks, Ayla Kruse, Olga S. Bokareva, Mohammed J. Al-Marri, Jens Kalmbach, Marc Baltrun, Adam Neuba, Roland Schoch, Stephan Hohloch, Katja Heinze, Michael Seitz, Oliver Kühn, Stefan Lochbrunner, Matthias Bauer|2021|Chem.Commun.|57|6640|doi:10.1039/D1CC01716K

Space GroupCrystallographybis(44'-(pyridine-26-diyl)bis(1-ethyl-3-methyl-123-triazole-5-ylidene))-iron(ii) bis(hexafluorophosphate) dichloromethane solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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