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Updated: Sep 13, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
A hexafluoroacetylacetonate-neodymium(III) complex with solvated pyridazine linked by hydrogen bonds
Yang Luo1, Xiaofen Li1, Yueyun Zou1
1Guangxi Key Laboratory of Electrochemical and Magneto-chemical Functional Materials, College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004, People's Republic of China.
Abstract:
The neodymium complex triaquatris(hexafluoroacetylacetonato-κ2O,O')neodymium(III) pyridazine trisolvate, [Nd(C5HF6O2)3(H2O)3]·3C4H4N2 or [Nd(hfac)3(H2O)3]·3pdz (hfac is hexafluoroacetylacetonate and pdz is pyridazine), (I), was synthesized via the reaction of [Nd(hfac)3(H2O)2] and pdz, and was characterized by IR spectroscopy and single-crystal X-ray diffraction. The crystal structure reveals that complex (I) crystallizes in the trigonal space group R3c, where the NdIII ion exhibits a nine-coordinated geometry composed of three bidentate hfac- ligands and three coordinated water molecules. The UV absorption spectrum displays a strong ligand-centred (LC) absorption band at 302 nm attributed to the π→π* or n→π* transition of the hfac- moiety. The near-IR luminescence spectrum features a dominant emission peak at 1066 nm, which corresponds to the 4F3/2→4I9/2 transition of the NdIII ion with a lifetime (τ) of 623.97 ns under excitation at 352 nm. Compared to the precursor [Nd(hfac)3(H2O)2] (τ = 49.70 ns), complex (I) shows a significant increase in luminescence lifetime, which can be attributed to the hydrogen-bonding-induced rigidity that suppresses solvent-induced non-radiative relaxation.
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