Dalton Transactions · 2013 · 50 citations · 63 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryInorganic ChemistrySpectroscopyCoordination ChemistryInorganic SpectroscopyLanthanide ChemistryLuminescent MaterialsMolecular Orbital TheoryPhotochemistryEnergy TransferLanthanide ComplexesLanthanide Coordination ChemistryLanthanide Electronic StructureLanthanide LuminescenceLuminescent Coordination CompoundsMolecular Structure DeterminationPhotophysical Mechanisms
Lanthanide complexes LnL3 (Ln = Sm, Eu, Tb, Dy, Tm, Yb, Lu) with aromatic o-phosphorylated ligands (HL(1) and HL(2)) have been synthesized and identified. Their molecular structure was proposed on the basis of a new complex approach, including DFT calculations, Sparkle/PM3 modelling, EXAFS spectroscopy and luminescent probing. The photophysical properties of all of the complexes were investigated in detail to obtain a deeper insight into the energy transfer processes.
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General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations
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Excitation energies in density functional theory: An evaluation and a diagnostic test
M J Peach, Peter Benfield, Trygve Helgaker et al. · The Journal of Chemical Physics · 2008 · 1.4K citations · Full text
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