Articles with "spectroscopy dft" as a keyword



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Nature of the Ligand-Centered Triplet State in Gd3+ β-Diketonate Complexes as Revealed by Time-Resolved EPR Spectroscopy and DFT Calculations.

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Published in 2021 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.1c01123

Abstract: A series of Gd3+ complexes (Gd1-Gd3) with the general formula GdL3(EtOH)2, where L is a β-diketone ligand with polycyclic aromatic hydrocarbon substituents of increasing size (1-3), was studied by combining time-resolved electron paramagnetic resonance (TR-EPR)… read more here.

Keywords: gd3; spectroscopy dft; time resolved; epr spectroscopy ... See more keywords