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- W3199262907 abstract "This paper presents the paramagnetic NMR, 4f‒4f absorption and photoluminescence properties of the complexes of Sm, Eu, Ho and Er with hexafluoroacetylacetone (hfaa) and 1,10‒phenanthroline (phen) in various coordinating and non‒coordinating solvents. The ground state molecular structure of the ternary complexes, [Ln(hfaa)3(phen)](Ln = Ho and Er) and their hydrated parent molecules, [Ln(hfaa)3(H2O)2] were determined using semi‒empirical Sparkle/RM1 method. The optimized structures reflect the effect of lanthanide contraction as the average bond distances [Ln‒O and Ln‒N] decreases on going from Ho to Er. The shape analyses reveal that the geometry of these eight-coordinated complexes is very close to triangular dodecahedron with D2d symmetry. The NMR spectra of the complexes show that the complexes are stable in both coordinating and non‒coordinating solvents. In the 4f‒4f absorption spectra, the solvents’ effect is reflected on the band shape and oscillator strength of the hypersensitive transitions of ternary Ho (5G6 ← 5I8) and Er (2H11/2 ← 4I15/2 and 4G11/2 ← 4I15/2) complexes. These changes suggest solvents influence in changing the symmetry of the field around the Ho and Er ions. The photophysical properties of Sm and Eu complexes are superior in non‒coordinating solvents than those observed in the coordinating solvents ." @default.
- W3199262907 created "2021-09-27" @default.
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- W3199262907 date "2022-02-01" @default.
- W3199262907 modified "2023-09-26" @default.
- W3199262907 title "Structure elucidation by Sparkle/RM1, and solution behavior of lanthanideIII complexes: NMR, 4f‒4f absorption spectra and Photoluminescent properties" @default.
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- W3199262907 doi "https://doi.org/10.1016/j.molstruc.2021.131480" @default.
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