Synthesis, structure and magnetic studies of lanthanide metal–organic frameworks (Ln–MOFs): Aqueous phase highly selective sensors for picric acid as well as the arsenic ion

Raizada, Mukul; Sama, Farasha; Ashafaq, Mo; Shahid, M.; Khalid, Mohd; Ahmad, Musheer; Siddiqi, Zafar A.

doi:10.1016/j.poly.2017.09.052

Cited by 36 publications

(14 citation statements)

References 63 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In recent years, a number of Ln-CPs constructed from carboxylic ligands have exhibited remarkable luminescence and magnetic properties, indicating that carboxylic acid ligands can sensitize Ln 3+ ions emitting visible light or near-IR light, and carboxylate bridges can transfer the magnetic interactions between Ln 3+ ions (Chow et al, 2016;Hao et al, 2018;Raizada et al, 2018). To construct such optical-magneto bifunctional materials, a tartaric acid derivative, (+)-di-ptoluoyl-d-tartaric acid (d-H 2 DTTA), was chosen as a functional ligand for the following considerations: (i) the flexible dicarboxylic acid has two equal chiral C atoms, and the variable coordination modes provided by this carboxyl-rich molecule lead to the isolation of metal-organic hybrid topologies with multiple metal centres (Feng et al, 2015;Sun et al, 2016); (ii) the ligand may act as a luminescence sensitizer ('antenna effect') in Ln-CPs (Niu et al, 2016a,b,c).…”

Section: Introductionmentioning

confidence: 99%

Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium

Han

et al. 2019

Acta Crystallogr C Struct Chem

View full text Add to dashboard Cite

A new mononuclear europium complex incorporating the (+)‐di‐p‐toluoyl‐d‐tartaric acid (d‐H2DTTA) ligand, namely, catena‐poly[tris{μ2‐3‐carboxy‐2,3‐bis[(4‐methylphenyl)carbonyloxy]propanoato}tris(methanol)europium(III)], [Eu(C20H17O8)3(CH3OH)3]n, (I), has been synthesized and characterized by IR spectroscopy, elemental analysis, powder X‐ray diffraction and single‐crystal X‐ray diffraction analysis. The structure analysis indicates that complex (I) crystallizes in the trigonal space group R3 and exhibits an infinite one‐dimensional chain structure, in which the Eu3+ ion is surrounded by six O atoms from six d‐HDTTA− ligands and three O atoms from three coordinated methanol molecules, thus forming a tricapped trigonal prism geometry. The d‐H2DTTA ligand is partially deprotonated and adopts a μ1,6‐coordination mode via two carboxylate groups to link adjacent Eu3+ ions, affording an infinite one‐dimensional propeller‐shaped coordination polymer chain along the c axis, with an Eu…Eu distance of 7.622 (1) Å. Moreover, C—H…π interactions lead to the formation of helical chains running along the c axis and the whole structure displays a snowflake pattern in the ab plane. The circular dichroism spectrum confirms the chirality of complex (I). The solid‐state photoluminescence properties were also investigated at room temperature and (I) exhibits characteristic red emission bands derived from the Eu3+ ion (CIE 0.63, 0.32), with a reasonably long lifetime of 0.394 ms, indicating effective energy transfer from the ligand to the metal centre. In addition, a magnetic investigation reveals single‐ion magnetic behaviour. The spin‐orbit coupling parameter (λ) between the ground and excited states is fitted to be 360 (2) cm−1 through Zeeman perturbation. Therefore, complex (I) may be regarded as a chiral optical‐magneto bifunctional material.

show abstract

Section: Introductionmentioning

confidence: 99%

Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium

Han

et al. 2019

Acta Crystallogr C Struct Chem

View full text Add to dashboard Cite

show abstract

“…Here, the extinction of the luminescence requires an electron structure where the analyte orbitals have adequate energy to produce the PET. [28,29] Regarding this, several studies of density functional theory (DFT) calculations have been reported, providing a more detailed description of the proposed sensing mechanism. From these results, researchers have proposed that the most probable PET mechanism is due to electron transfer from the conduction band (CB) of the MOF to the lowest unoccupied molecular orbital (LUMO) of NACs.…”

mentioning

confidence: 99%

“…From these results, researchers have proposed that the most probable PET mechanism is due to electron transfer from the conduction band (CB) of the MOF to the lowest unoccupied molecular orbital (LUMO) of NACs. [24,28] Nevertheless, as most of the theoretical reports deal with the computations of the MOF and analyte separately, which have limited the analysis to an orbital energy comparison between both structures, it becomes imperative to address the study of host-guest systems to design MOFs as sensors. This is a remarkable topic in the literature due to their role in changes on the photophysical properties that govern the recognition mechanisms of analytes.…”

mentioning

confidence: 99%

Sensing mechanism elucidation of a chemosensor based on a metal‐organic framework selective to explosive aromatic compounds

Hidalgo‐Rosa

Treto‐Suárez

Schott

et al. 2020

Int J of Quantum Chemistry

View full text Add to dashboard Cite

Theoretical elucidation of the turn-off mechanism of the luminescence of a chemosensor based on a metal-organic framework (MOF) [Zn 2 (OBA) 4 (BYP) 2 ] (BYP: 4,4 0bipyridine; H 2 OBA: 4,4 0-oxybis[benzoic acid]), selective to nitrobenzene (NB) via quantum chemical computations, is presented. The electronic structure and optical properties of Zn-MOF were investigated through the combination of density functional theory (DFT) and time-dependent DFT methods. Our results indicate that the fluorescence emission is governed by a linker (BPY)-to-linker (OBA) charge transfer (LLCT) involving orbitals π-type. Next, the interaction with the analyte was analyzed, where very interesting results were obtained, that is, the lowest unoccupied molecular orbital is now composed of orbitals from NB, which changes the emissive state of the Zn-MOF. This suggests that the LLCT process is blocked, inducing the fluorescence quenching. Otherwise, the Morokuma-Ziegler energy decomposition and natural orbitals for chemical valence on the Zn-MOF-NB interactions were studied in detail, which illustrate the possible channels of charge transfer between Zn-MOF and NB. Finally, we believe that this proposed methodology can be applied to different chemosensor-analyte systems to evidence the molecular and electronic factors that govern the sensing mechanisms.

show abstract

“…Here, the extinction of the luminescence requires an electron structure where the analyte orbitals have adequate energy to produce the PET. [26][27] Regarding this, several studies of density functional theory (DFT) calculations have been reported, providing a more detailed description of the proposed sensing mechanism. From these results, researchers have proposed that the most probable PET mechanism is due to electron transfer from the conduction band (CB) of the MOF to lowest unoccupied molecular orbital (LUMO) of NACs.…”

Section: Introductionmentioning

confidence: 99%

“…From these results, researchers have proposed that the most probable PET mechanism is due to electron transfer from the conduction band (CB) of the MOF to lowest unoccupied molecular orbital (LUMO) of NACs. [24][25][26][27][28] Nevertheless, since most of the theoretical reports deal the computations of the MOF and analyte separately, which have limited the analysis to an orbital energy comparison between both structures, it becomes imperative to address the study of host-guest systems to design MOFs as sensors. This last is a remarkable topic recalled in literature due to their role in changes on the photophysical properties that govern the recognition mechanisms of analytes.…”

Section: Introductionmentioning

confidence: 99%

Sensing Mechanism Elucidation of a Chemosensor Based on a Metal-Organic Framework (MOF) Selective to Explosive Aromatic Compounds

et al.

View full text Add to dashboard Cite

Theoretical elucidation of the turn-off mechanism of the luminescence of a chemosensor based on a metal-organic framework (MOF) [Zn2(OBA)4(BYP)2] (BYP: 4,4'-bipyridine; H2OBA: 4,4'-oxybis(benzoic acid)), selective to nitrobenzene via quantum chemical computations is presented. The electronic structure and optical properties of Zn-MOF were investigated through the combination of density functional theory (DFT) and time-dependent-DFT methods. Our results indicate that the fluorescence emission is governed by a linker (BPY) to linker (OBA) charge transfer (LLCT) involving orbitals π-type. Next, interaction with the analyte was analyzed, where very interesting results were obtained, i.e. the LUMO is now composed by orbitals from nitrobenzene, which changes the emissive state of the Zn-MOF. This fact suggests that the LLCT process is blocked, inducing then the fluorescence quenching. Otherwise, the Morokuma-Ziegler energy decomposition and NOCV (Natural Orbitals for Chemical Valence) on the Zn-MOF-nitrobenzene interactions were studied in detail, which illustrate the possible channels of charge transfer between Zn-MOF and nitrobenzene. Finally, we believe that this proposed methodology can be applied to different chemosensor-analyte systems to evidence the molecular and electronic factors that govern the sensing mechanisms.

show abstract

Synthesis, structure and magnetic studies of lanthanide metal–organic frameworks (Ln–MOFs): Aqueous phase highly selective sensors for picric acid as well as the arsenic ion

Cited by 36 publications

References 63 publications

Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium

Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium

Sensing mechanism elucidation of a chemosensor based on a metal‐organic framework selective to explosive aromatic compounds

Sensing Mechanism Elucidation of a Chemosensor Based on a Metal-Organic Framework (MOF) Selective to Explosive Aromatic Compounds

Contact Info

Product

Resources

About