Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2'-bipyridine ligand

Marques, Lippy F.; Corrêa, Charlane C.; Garcia, Humberto C.; Francisco, Thiago Martins; Ribeiro, Sidney José Lima; Dutra, José Diogo L.; Freire, Ricardo O.; Machado, Flávia C.

doi:10.1016/j.jlumin.2013.12.021

Cited by 25 publications

(12 citation statements)

References 64 publications

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“…FT-IR spectra of free btec ligand and ComplexThere is no band at about 3400 cm -1 [ν(O-H)] because of no lattice water molecule in the complex. The ρ r (H 2 O) vibration at about 660 cm -1 in complex 1 is originated from coordinated water molecule[17,18]. The IR results are in agreement with the crystallographic parameters.…”

supporting

confidence: 78%

Gözenekli malzemelerde Pr(III) iyonlarının anten etkisi ile duyarlılaştırılması

Bütün¹

2017

Balıkesir Üniversitesi Fen Bilimleri Enstitüsü Dergisi

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Metal organic frameworks (MOF) are porous materials which generally construct with ligands and metal ions. Recently, most of studies in the field of photoluminescence properties of Ln(III) complexes has been focused on Eu(III), Tb(III), Dy(III) and Sm(III) compounds. In according to our research; investigation of luminescence properties of specially Pr(III) complexes are limited report in literature. In this study, Pr(III) metal ion has been selected to form the metal organic frameworks. Because of forbidden f-f transitions, direct excitation of lanthanide (III) ions is nearly impossible. The sensitization of organic ligands is more effectively achieved a via antenna effect. To obtain excellent luminescence properties, the significant design or selection of a suitable ligand play a key role in the building of 3D-MOFs. In this work, luminescence characteristics of the Pr-MOF complex both in visible and NIR region and energy transfer mechanism have been investigated.

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supporting

confidence: 78%

Gözenekli malzemelerde Pr(III) iyonlarının anten etkisi ile duyarlılaştırılması

Bütün¹

2017

Balıkesir Üniversitesi Fen Bilimleri Enstitüsü Dergisi

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“… 36 , 37 The semiempirical Sparkle RM1 36 and PM7 37 have proven successful in prediction of the ground state geometries of the lanthanide complexes. The semiempirical models not only predict geometries for mono-, 38 , 39 di-, 40 tri-, and polynuclear lanthanide complexes, 41 , 42 they also can divine it for more complicated structures like lanthanide organic frameworks in a reasonable time. 43 − 45 The theoretical estimation of spectroscopic parameters 46 − 48 for simple mononuclear complexes using single crystal or optimized structure is routinely used.…”

Section: Introductionmentioning

confidence: 99%

“…Alongside the evolution of single-crystal X-ray as a reliable tool for the structure determination, the theoretical techniques like ab initio methodologies or density functional theory and the semiempirical tools like Sparkle have also been evolved. , The semiempirical Sparkle RM1 and PM7 have proven successful in prediction of the ground state geometries of the lanthanide complexes. The semiempirical models not only predict geometries for mono-, , di-, tri-, and polynuclear lanthanide complexes, , they also can divine it for more complicated structures like lanthanide organic frameworks in a reasonable time. − The theoretical estimation of spectroscopic parameters − for simple mononuclear complexes using single crystal or optimized structure is routinely used . However, the determination of Judd–Ofelt intensity parameters , for individual metal centers for a polynuclear complex by a classical method provides inconsistent results and, to overcome this problem, Frerie and coworkers have developed some engrossing theoretical procedures.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu³⁺ Sites

Ganaie

Iftikhar

2021

ACS Omega

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Heteroleptic homo dinuclear complexes [Sm(fod) 3 (μ-bpp)Sm(fod) 3 ] and [Eu(fod) 3 (μ-bpp)Eu(fod) 3 ] and their diamagnetic analogue [Lu(fod) 3 (μ-bpp)Lu(fod) 3 ] (fod is the anion of 6,6,7,7,8,8,8- heptafluoro-2,2-dimethyl-3,5-octanedione (Hfod) and bpp is 2,3-bis(2-pyridyl)pyrazine) are synthesized and thoroughly characterized. The lanthanum gave a 1:1 adduct of La(fod) 3 and bpp with the molecular formula of [La(fod) 3 bpp]. The 1 H NMR and 1 H- 1 H COSY spectra of the complexes were used to assign the proton resonances. In the case of paramagnetic Sm 3+ and Eu 3+ complexes, the methine (of the fod moiety) and the bpp resonances are shifted in the opposite direction and the paramagnetic shifts are dipolar in nature, which decrease with increasing distance of the proton from the metal ion. The single-crystal X-ray analyses reveal that the complexes (Sm 3+ and Eu 3+ ) are dinuclear and crystallize in the triclinic P 1 space group. Each metal in a given complex is eight coordinate by coordinating with six oxygen atoms of three fod moieties and two nitrogen atoms of the bpp. Of the two metal centers, in a given complex, one has a distorted square antiprism arrangement and the other acquires a distorted dodecahedron geometry. The Sparkle RM1 and PM7 optimized structures of the complexes are also presented and compared with the crystal structure. Theoretically observed bond distances are in excellent agreement with the experimental values, and the RMS deviations for the optimized structures are 2.878, 2.217, 2.564, and 2.675 Å. The photophysical properties of Sm 3+ and Eu 3+ complexes are investigated in different solvents, solid, and PMMA-doped thin hybrid films. The spectroscopic parameters (the Judd–Ofelt intensity parameters, radiative parameters, and intrinsic quantum yield) of each Eu 3+ sites are calculated using the overlap polyhedra method. The theoretically obtained parameters are close to the experimental results. The lifetime of the excited state is 38.74 μs for Sm 3+ and 713.62 μs for the Eu 3+ complex in the solid state.

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“…Carboxylate ligands could serve as a good candidate in the synthesis of Ln-MOF due to their coordination ability with trivalent lanthanide ions, coordinating to the metal centers by more than one bonding modes [15,16]. In recent years, a number of Ln-MOFs with carboxylate ligands have been reported, such as [Ln 2 (CIP) 2 (DMF) 4 [17][18][19].…”

Section: Introductionmentioning

confidence: 99%

“…Carboxylate ligands could serve as a good candidate in the synthesis of Ln‐MOF due to their coordination ability with trivalent lanthanide ions, coordinating to the metal centers by more than one bonding modes . In recent years, a number of Ln‐MOFs with carboxylate ligands have been reported, such as [Ln 2 (CIP) 2 (DMF) 4‐x (H 2 O) x ][H 3 CIP=5‐(4‐carboxybenzylideneamino)isophthalic acid], Ln‐tris((4‐carboxyl)phenylduryl)amine(Ln = Ce, Pr, Nd, Sm) and [La(TPT)(DMSO) 2 ]·H 2 O(H 3 TPT=ρ‐terphenyl‐3,4″,5‐tricarboxylic acid) .…”

Section: Introductionmentioning

confidence: 99%

Structures and high fluorescence of novel nanocomposites of sodium carboxymethyl cellulose/Tb(III) prepared at different pHs

Xiong

et al. 2016

Polymer Composites

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Lanthanide metal complexes as novel luminescent metal‐organic frameworks with potential application such as probes, sensors and labels, have greatly been developed. This paper presents novel nanocomposites by reacting terbium salt with the sodium carboxymethyl cellulose (NaCMC) at different pHs, Which were characterized by SEM, TEM, FTIR, XPS, WAXD, GPC, UV‐Vis, and PL. The results show that Tb3+ ions react with O of COO‐, ‐OH, and ‐COC on NaCMC. The morphologies of these nanocomposites showed spheroidal‐like with the size around 100 nm at around neutral pH, but show rod‐like and band‐like around 100 nm in width and about 500 nm in length at pH = 11 and 12. They emit bright green characteristic fluorescence of Tb3+ under ultraviolet light due to the antenna effect when NaCMC transfer the energy efficiently to the Tb ions around neutral pHs. However, at higher pH, they show weaker fluorescence intensity in spite of strong crystalline because abundant Na+ are involved in them and affected the efficiency of energy transfer between NaCMC and Tb3+. These nanocomposites could find potential biological applications base on their fluorescent and biodegradable properties. POLYM. COMPOS., 38:E498–E507, 2017. © 2016 Society of Plastics Engineers

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Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2'-bipyridine ligand

Cited by 25 publications

References 64 publications

Gözenekli malzemelerde Pr(III) iyonlarının anten etkisi ile duyarlılaştırılması

Gözenekli malzemelerde Pr(III) iyonlarının anten etkisi ile duyarlılaştırılması

Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu³⁺ Sites

Structures and high fluorescence of novel nanocomposites of sodium carboxymethyl cellulose/Tb(III) prepared at different pHs

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Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2'-bipyridine ligand

Cited by 25 publications

References 64 publications

Gözenekli malzemelerde Pr(III) iyonlarının anten etkisi ile duyarlılaştırılması

Gözenekli malzemelerde Pr(III) iyonlarının anten etkisi ile duyarlılaştırılması

Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu3+ Sites

Structures and high fluorescence of novel nanocomposites of sodium carboxymethyl cellulose/Tb(III) prepared at different pHs

Contact Info

Product

Resources

About

Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu³⁺ Sites