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RESEARCH PAPER · The Journal of Physical Chemistry A · 2024

Evaluation of Point Group Symmetry in Lanthanide(III) Complexes: A New Implementation of a Continuous Symmetry Operation Measure with Autonomous Assignment of the Principal Axis

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Evaluation of Point Group Symmetry in Lanthanide(III) Complexes: A New Implementation of a Continuous Symmetry Operation Measure with Autonomous Assignment of the Principal AxisOriginalContrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu( iii ) and Sm( iii ) crystals structures determined from single crystal luminescence spectra12Impact of Symmetry and Donor Set on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra1Electronic Structure of a Neodymium(III) Tris(oxidiacetate) Complex from Luminescence Data and Ab Initio Calculations14Understanding the Coordination Chemistry and Structural and Photophysical Properties of EuII- and SmII-Containing Complexes of Hexamethylhexacyclen and Noncyclic Tetradentate Amines12Current developments and future perspectives on the formation of luminescent lanthanide supramolecular self-assembly architectures with a focus on nitrogen-based donor ligands20Redox, spectroscopic and magnetic properties of C 3 -symmetric rare earth complexes featuring atypical ortho -dioxolene binding5Neodymium(III) Aqua Ion as a Model System in Ab Initio Crystal Field Analysis Beyond Point Charges and Crystal Field Theory17Similar but Different: Structural and Spectroscopic Characterization of Series of Neodymium, Europium, Americium, and Curium Coordination Complexes19Solvation Effects on the Sustainability of Lanthanum Complexes6Magneto‐Optical Correlations in a High Symmetry Dysprosium Complex Reveal an Almost “Ideal Non‐SMM” and Orange‐to‐Red DyIII‐Based Emitter4Thermally Distinguishable Polyhedral Shapes in Chemistry: 6- and 7-Coordination2Structural and Spectroscopic Characterization of Plutonium and Other Tetravalent Metals Complexed to a Keggin Ion6Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software4Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes2Strategies to control the geometry and symmetry around lanthanide centres for tailored luminescence and magnetism2Mapping the Coordination Number and Coordination Geometry of Lanthanide Ions in Aqueous and Nonaqueous Solution Phases1Chiral Networks Assembled from Hexalanthanide Polyoxometalate Sandwich Building Units Showing Solid-State Temperature-Dependent Photoluminescence0Polymorphism and NIR Photoluminescence of Anhydrous Ytterbium(III) Acetate: Reversible Transformations of Three Polar Structures in the Temperature Range 100–593 K0CSoM Software: Continuous Symmetry Operation Measure for Point Group Symmetry Determination of Atomic Coordinates0

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  1. Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu( iii ) and Sm( iii ) crystals structures determined from single crystal luminescence spectra

    Dalton Transactions · 2024-01-01

    Sabina Svava Mortensen, Villads R. M. Nielsen, Thomas Just Sørensen

    Read original paper ↗ ·
  2. Impact of Symmetry and Donor Set on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra

    ChemRxiv · 2024-01-19

    Sabina Svava Mortensen, Villads R. M. Nielsen, Thomas Just Sørensen

    Read original paper ↗ ·
  3. Electronic Structure of a Neodymium(III) Tris(oxidiacetate) Complex from Luminescence Data and Ab Initio Calculations

    Inorganic Chemistry · 2024-08-28

    Villads R. M. Nielsen, Maxime Grasser, Sabina Svava Mortensen, Boris Le Guennic, Thomas Just Sørensen

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  4. Understanding the Coordination Chemistry and Structural and Photophysical Properties of EuII- and SmII-Containing Complexes of Hexamethylhexacyclen and Noncyclic Tetradentate Amines

    Inorganic Chemistry · 2024-09-06

    Sergely Steephen Bokouende, Cassandra L. Ward, Matthew J. Allen

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  5. Current developments and future perspectives on the formation of luminescent lanthanide supramolecular self-assembly architectures with a focus on nitrogen-based donor ligands

    Chemical Society Reviews · 2025-01-01

    Sandra Fernández‐Fariña, Oxana Kotova, Shauna R. Donohoe, Thorfinnur Gunnlaugsson

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  6. Redox, spectroscopic and magnetic properties of C 3 -symmetric rare earth complexes featuring atypical ortho -dioxolene binding

    Dalton Transactions · 2025-01-01

    Stanley Bagio, Jonay Gonzalez, Robert W. Gable, Christopher R. Hall, Colette Boskovic, Marcus J. Giansiracusa

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  7. Neodymium(III) Aqua Ion as a Model System in Ab Initio Crystal Field Analysis Beyond Point Charges and Crystal Field Theory

    Inorganic Chemistry · 2025-02-06

    Villads R. M. Nielsen, Maxime Grasser, Boris Le Guennic, Thomas Just Sørensen

    Read original paper ↗ ·
  8. Similar but Different: Structural and Spectroscopic Characterization of Series of Neodymium, Europium, Americium, and Curium Coordination Complexes

    Journal of the American Chemical Society · 2025-04-15

    Ian Colliard, Gauthier J.‐P. Deblonde

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  9. Solvation Effects on the Sustainability of Lanthanum Complexes

    The Journal of Physical Chemistry A · 2025-06-12

    Maxim A. Lutoshkin

    Read original paper ↗ ·
  10. Magneto‐Optical Correlations in a High Symmetry Dysprosium Complex Reveal an Almost “Ideal Non‐SMM” and Orange‐to‐Red DyIII‐Based Emitter

    ChemistryEurope · 2025-07-09

    Nimisha Jain, Grégoire David, Marie Cordier≈, Yan Suffren, Boris Le Guennic, Yann Sarazin, Kévin Bernot

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  11. Thermally Distinguishable Polyhedral Shapes in Chemistry: 6- and 7-Coordination

    ACS Omega · 2025-09-29

    Gabriel H. L. Munguba, Mateus F. da Silva, Frederico T. Silva, Gabriel A. Urquiza‐Carvalho, Alfredo Mayall Simas

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  12. Structural and Spectroscopic Characterization of Plutonium and Other Tetravalent Metals Complexed to a Keggin Ion

    Inorganic Chemistry · 2025-11-07

    Jenna L. Bustos, Ian Colliard, Vitalie Stavila, Derrick C. Kaseman, Christopher A. Colla, May Nyman, Gauthier J.‐P. Deblonde

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  13. Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software

    Nature Communications · 2025-11-21

    Villads R. M. Nielsen, Thomas Just Sørensen

    Read original paper ↗ ·
  14. Correlating luminescence and single-molecule magnetism for two series of heteroleptic lanthanoid complexes

    Dalton Transactions · 2025-12-22

    Jonay Gonzalez, Vinicius Fagundes, Moya A. Hay, Elena Dallerba, Massimiliano Massi, Christopher R. Hall, Marcus J. Giansiracusa, Colette Boskovic

    Read original paper ↗ ·
  15. Strategies to control the geometry and symmetry around lanthanide centres for tailored luminescence and magnetism

    Nature Communications · 2026-02-16

    Thomas E. Karpiuk, Daniel B. Leznoff

    Read original paper ↗ ·
  16. Mapping the Coordination Number and Coordination Geometry of Lanthanide Ions in Aqueous and Nonaqueous Solution Phases

    Journal of the American Chemical Society · 2026-03-12

    Nicolaj Kofod, Villads R. M. Nielsen, Tobias Mølgaard Nielsen, Thomas Just Sørensen, Meagan S. Oakley, Kirsten M. Ø. Jensen, Nicholas F. Chilton

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  17. Chiral Networks Assembled from Hexalanthanide Polyoxometalate Sandwich Building Units Showing Solid-State Temperature-Dependent Photoluminescence

    Inorganic Chemistry · 2026-07-16

    Vanikrishna Ajithkumar Njayappallil, Aravind Raveendranathan, Senthil Kumar Kuppusamy, Papri Chakraborty, Thomas Bergfeldt, Nikoleta Malinová, Manfred M. Kappes, Mario Ruben, Christopher E. Anson, Masooma Ibrahim, Annie K. Powell

    Read original paper ↗ ·
  18. Polymorphism and NIR Photoluminescence of Anhydrous Ytterbium(III) Acetate: Reversible Transformations of Three Polar Structures in the Temperature Range 100–593 K

    Zeitschrift für anorganische und allgemeine Chemie · 2026-08-23

    Maksim A. Zhernakov, Tobias Stürzer, Yuriy G. Denisenko, Jakob Möbs, Klaus Müller‐Buschbaum

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  19. CSoM Software: Continuous Symmetry Operation Measure for Point Group Symmetry Determination of Atomic Coordinates

    Journal of Chemical Information and Modeling · 2026-09-25

    Villads R. M. Nielsen, Thomas Just Sørensen

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