Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies

Dutta, Basudeb; Ghosh, Sourav Ranjan; Ray, Apurba; Jana, Srikanta; Sinha, Chittaranjan; Das, Sachindranath; Jana, Atish Dipankar; Mir, Mohammad Hedayetullah

doi:10.1039/d0nj03750h

Cited by 10 publications

(10 citation statements)

References 42 publications

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“…Four Cu(II) atoms form a tetranuclear unit by coordination with six BTC 3– , two 4-APy, and two μ 3 -OH bridging linkers (Figure b) along with the coordination of CH 3 OH and H 2 O. There are two five-coordinated distorted-square-pyramidal CuO 5 units and two distorted-square-planar CuO 4 units generated by carboxylate bridging of BTC 3– to generate a [Cu II ] 4 unit. − The Cu(II) knot in CuO 4 is coordinated by pyridyl- N of 4-APy to make a distorted-square-pyramidal CuO 4 N motif.…”

Section: Resultsmentioning

confidence: 99%

A Cu(II) Metal Organic Framework with a Tetranuclear Core: Structure, Magnetism, and Supercapacitor Activity

Jana

Saha

Chandra

et al. 2022

Crystal Growth & Design

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A Cu(II) coordinated metal–organic framework, {[Cu4(BTC)2(4-APy)2(μ3-OH)2]·[(CH3OH)0.5]2·(H2O)2} n (Cu-MOF), has been synthesized by the solvo-diffusion of Cu(NO3)2 to an alcoholic solution of 4-aminopyridine (4-APy) and 1,3,5-benzenetricarboxylic acid (H3BTC) in equimolar proportion. A single-crystal X-ray structure determination suggests that the four-Cu(II)-connected motif ([CuII]4) via edge sharing of two Cu3–O cores and bridging by six acetato functions of the BTC3– connector generates two five-coordinated distorted-square-pyramidal CuO5 units and two distorted-square-planar CuO4 units; the Cu(II) knot in the latter one (CuO4) is coordinated by pyridyl-N of 4-APy. The remaining donor centers of acetato-O of BTC3– bind adjacent [CuII]4 core to form an infinite 3D network structure. The coordination of CH3OH and H2O forms different hydrogen bonds to make a strong superstructure. A surface morphology determination shows a nanoflower pattern. The hybrid material Cu-MOF exhibits a very high specific capacitance, 547 F g–1, at a scan rate of 2 mV s–1 with excellent recycling stability (retains 97.4% after 5000 cycles). The χM T value for Cu-MOF at 300 K is 1.735 cm3 mol–1 K for four copper(II) ions, which is as expected for four isolated copper(II) ions with g = 2.15. The χM T values are almost constant until ca. 55 K, and then χM T decreases sharply, giving a minimum value of 0.753 cm3 K mol–1 at 2 K.

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Section: Resultsmentioning

confidence: 99%

A Cu(II) Metal Organic Framework with a Tetranuclear Core: Structure, Magnetism, and Supercapacitor Activity

Jana

Saha

Chandra

et al. 2022

Crystal Growth & Design

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“…Interestingly, the water tetramer plays a decisive role in better understanding the two-structure model of liquid water and ice. 53 Recently, considerable attention has been paid to the theoretical and experimental studies of small water clusters. 54 In this context, in our Cu-CP, we have observed an interesting R 4 Microstructural Characterization.…”

Section: ■ Computational Detailsmentioning

confidence: 60%

Cu(II)-Based Coordination Polymer as a Pristine Form Usable Electrocatalyst for Oxygen Reduction Reaction: Experimental Evaluation and Theoretical Insights into Biomimetic Mechanistic Aspects

et al. 2022

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As the postsynthesis-processed metal−organic materialbased catalysts for energy applications add additional cost to the whole process, the importance of developing synthesized usable pristine catalysts is quite evident. The present work reports a new Cu-based coordination polymer (Cu-CP) catalyst to be used in its pristine form for oxygen reduction reaction (ORR) application. The catalyst was characterized using single-crystal X-ray diffraction, field emission scanning electron microscopy, and X-ray photoemission spectroscopy. The Cu-CP exhibits admirable electrocatalytic ORR activity with an onset potential of 0.84 V versus RHE and a half wave potential of 0.69 V versus RHE. As revealed by the density functional theory-based computational mechanistic investigation of the electrocatalytic ORR process, the electrochemically reduced Cu(I) center binds to the molecular O 2 through an exergonic process (ΔG = −6.8 kcal/mol) and generates the Cu(II)−O 2•− superoxo intermediate. Such superoxo intermediates are frequently encountered in the catalytic cycle of the Cu-containing metalloenzymes in their O 2 reduction reaction. This intermediate undergoes coupled proton and electron transfer processes to give OH − in an alkaline medium involving H 2 O 2 as the intermediate. The electrocatalytic performance of Cu-CP remained stable even up to 3000 cycles. Overall, the newly developed Cu-CP-based electrocatalyst holds promising potential for efficient biomimetic ORR reactivity, which opens new possibilities toward the development of robust coordination polymer-based electrocatalysts.

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“…The π•••π and C-H•••π secondary interactions among the 4nvp ligands are liable for interdigitation of consecutive 2D coordination layers into a 3D supramolecular assembly. 25 On the other hand, compound 3 crystallizes in Pī with Z = 2. Compound 3 consists of one distorted square pyramidal Zn(II) centre, one anionic glutarate and one 4-nvp ligand.…”

Section: Structural Descriptions Of {[Zn(fum)(4-nvp) 2 ]•2h 2 O} N (...mentioning

confidence: 99%

“…[21][22][23] It has been noted that the addition of electronrich π-conjugated organic systems for the fabrication of CPs could give an effectual sensory platform for the detection of Pd metal ions. [24] In [25][26] are chosen for the sensing experiments. Of these, compounds 1 and 2 are isostructural and form two-dimensional (2D) CPs.…”

Section: Introductionmentioning

confidence: 99%

“…Syntheses, characterizations and structural architectures have been reported by our group. [25,26] In addition, stabilization of water clusters in the crystal hosts is discussed for 1 and 2 and the photomechanical effect is described for 3. However, during the exploration of photophysical properties, the fluorescence activity of all the compounds has been observed and therefore, the compounds are employed for Pd(II) detection in an aqueous medium.…”

Section: Introductionmentioning

confidence: 99%

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Exploitation of a Series of Zinc(II)-Coordination Polymers for Palladium(II)-Detection in Aqueous Medium

Dutta¹,

Bera²,

Bairy³

et al. 2022

ES Energy Environ.

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Palladium (Pd) is an important catalyst in different oxidation states (0, II, IV) in the synthesis of industrially, pharmaceutically and analytically important molecules. Trace amount (5-10 ppm) of Pd(0, II, IV) in the end product makes it heavily toxic and even fatal to human health. A different strategy has been explored for the detection of trace quantity of palladium in an aqueous medium. In this work, a series of reported Zn(II) coordination polymers (CPs) have been utilized to sense Pd(II) in water. The quantitative measurements of three materials presented a brilliant level of quenching constant values among the reported CPs for the sensing of Pd 2+ below the allowable limits set by the World Health Organization (WHO). Thus, the present work establishes the potential exploitation of fluorescent CPs for practical detection of harmful Pd 2+ metal ions in aqueous medium.

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Stabilization of cyclic water tetramers and dimers in the crystal host of 2D coordination networks: electrical conductivity and dielectric studies

Abstract: Water plays pivotal role in many biological and chemical process for living body. Therefore, it is a challenging task to predict the suitable host for confinement of aqua molecules. Here,...

Cited by 10 publications

References 42 publications

A Cu(II) Metal Organic Framework with a Tetranuclear Core: Structure, Magnetism, and Supercapacitor Activity

A Cu(II) Metal Organic Framework with a Tetranuclear Core: Structure, Magnetism, and Supercapacitor Activity

Cu(II)-Based Coordination Polymer as a Pristine Form Usable Electrocatalyst for Oxygen Reduction Reaction: Experimental Evaluation and Theoretical Insights into Biomimetic Mechanistic Aspects

Exploitation of a Series of Zinc(II)-Coordination Polymers for Palladium(II)-Detection in Aqueous Medium

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