Rigidifying Fluorescent Linkers by Metal–Organic Framework Formation for Fluorescence Blue Shift and Quantum Yield Enhancement

Wei, Zhang‐Wen; Gu, Zhi‐Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Roy N.; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong‐Cai

doi:10.1021/ja5006866

Cited by 540 publications

(444 citation statements)

References 72 publications

(23 reference statements)

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“…polymorphs NU-901 and NU-1000, exhibit high porosity, chemical stability and conductivity, simultaneously, making these suitable for electrochemical device applications. 8,18,[38][39][40] Depending on the application, additional material requirements besides charge transport include energy transport, [41][42][43] optical response [44][45][46] and catalytic activity. 13 The catalytic activity of MOFs has been studied for a variety of reactions, including oxidation, hydrogenation and condensation reactions.…”

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confidence: 99%

Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications

Patwardhan

Schatz

2015

J. Phys. Chem. C

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For electrochemical device applications metal organic frameworks (MOFs) must exhibit suitable conduction properties. To this end, we have performed computational studies of intermolecular charge transfer in MOFs consisting of hexa-Zr IV nodes and tetratopic carboxylate linkers. This includes an examination of the electronic structure of linkers that are derived from tetraphenyl benzene 1, tetraphenyl pyrene 2 and tetraphenyl porphyrin 3 molecules. These results are used to determine charge transfer propensities in MOFs, within the framework of Marcus theory, including an analysis of the key parameters (charge transfer integral t, reorganization energy λ and free energy change ∆G 0 ), and evaluation of figures of merit for charge transfer based on the chemical structures of the linkers. This qualitative analysis indicates that delocalization of the HOMO/LUMO on terminal substituents increases t and decreases λ, while weaker binding to counterions decreases ∆G 0 , leading to better charge transfer propensity. Subsequently, we study hole transfer in the linker 2 containing MOFs, NU-901 and NU-1000, in detail and describe mechanisms (hopping and superexchange) that may be operative under different electrochemical conditions. Comparisons with experiment are provided whereavailable. Based on the redox and catalytic activity of nodes and linkers, we propose three possible schemes for constructing electrochemical devices for catalysis. We believe that the results of this study will lay the foundation for future experimental work on this topic.

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confidence: 99%

Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications

Patwardhan

Schatz

2015

J. Phys. Chem. C

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“…As can be seen from Figure 1, complex 1 is a one-dimensional chain consisting of paddle-wheel {Zn 2 (COO) 4 Figure 1. It is worth pointing out that the tetrahedral geometry at P provides an organic building block that greatly favors the formation of 3-dimensional polymers.…”

Section: Structural Description Of {[Zn(bcppo)h 2 O]·3c 2 H 5 Oh} N (1)mentioning

confidence: 99%

“…In recent years, coordination polymers (CPs), which are assembled by metal ions/clusters and organic ligands, have attracted considerable attention owing to their fascinating structural topologies and potential applications in gas storage, separation, drug delivery, chemical absorption, luminescence, electronics, catalysis and their biological activity [1][2][3][4][5][6][7][8][9][10]. In particular, the luminescent coordination polymers have become an active topic of investigation due to the various applications in chemical sensors, photochemistry and electroluminescent display [11][12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, Photoluminescence Properties and Antibacterial Activity of a Zn(II) Coordination Polymer Based on a Paddle-Wheel Cluster

Meng

Wang

et al. 2017

Crystals

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Abstract:A binuclear Zn(II) complex of formula {[Zn(BCPPO)H 2 O]·3C 2 H 5 OH} n (1) [H 2 BCPPO = Bis 4-carboxyphenyl phenyl phosphine oxide] has been synthesized and structurally characterized by single crystal X-ray diffraction, Powder X-ray diffraction (PXRD), Thermogravimetric analysis (TG), Elemental analysis (EA) and Infrared spectroscopy (IR). As revealed by the single crystal X-ray diffraction, in the binuclear Zn(II) complex, two paddle-wheel-type Zn 2 units were connected by four BCPPO ligands to form one-dimensional chains. Their antibacterial activity was evaluated by using a minimal bactericidal concentration (MBC) benchmark. The binuclear Zn(II) complex shows excellent and long-term antibacterial activity against Escherichia coli and Staphylococcus aureus. In addition, the Photoluminescence properties of the binuclear Zn(II) complex was also investigated.

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“…[1][2][3][4][5][6][7][8][9][10][11][12] Recently, considerable progress in functional CPs has been achieved via thorough consideration of metal ions and free linkers with versatile geometry and multiple coordination sites. 13,14 However, it is still impossible to accurately predict the crystal structure and properties because of many inscrutable factors, such as reaction temperature, solvent system, pH value of the reaction, secondary ligands and so on.…”

Section: Introductionmentioning

confidence: 99%

Solvent and pH Driven Self-Assembly of Isomeric or Isomorphic Complexes: Crystal Structure and Luminescent Change upon Desolvation

Zhang

et al. 2016

Crystal Growth & Design

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N,N-dimethylacetamide; H 2 IDPA =5-(1-oxoisoindolin-2-yl) isophthalic acid), have been synthesized under similar solvothermal conditions with different solvent systems and pH values. However, complexes 1 and 3 share an unanticipated 2D layered structure while complex 2 presents an unprecedent topological network with new point symbol of {4·6 2 }{4·6 7 ·8 2 }. Complexes 4 and 5 have been generated from [Cu 2 (COO) 4 ] paddlewheels as the 4-connected node with the point symbol of {6 4 ·8 2 }. The diverse structures of 1-5 can be much related with hydrogen bonds and π-π interactions.Furthermore, the luminescent properties of complexes 1-3 have been investigated before-and-after desolvation by heating at 220 °C for 2h. Interestingly, the quantum yield of complex 2 is changed from 37.20% to 10.73% after desolvation. These results indicate that solvent molecules actually enhance the photoluminescence instead of quenching it. The construction of these complexes shows that the solvent and pH value can regulate the crystal structure and luminescent properties.

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Rigidifying Fluorescent Linkers by Metal–Organic Framework Formation for Fluorescence Blue Shift and Quantum Yield Enhancement

Cited by 540 publications

References 72 publications

Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications

Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications

Synthesis, Crystal Structure, Photoluminescence Properties and Antibacterial Activity of a Zn(II) Coordination Polymer Based on a Paddle-Wheel Cluster

Solvent and pH Driven Self-Assembly of Isomeric or Isomorphic Complexes: Crystal Structure and Luminescent Change upon Desolvation

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