Encapsulated Schiff base nickel complex in zeolite Y: Correlation between catalytic activities and extent of distortion supported by experimental and DFT studies

Choudhary, Archana; Das, Bidisa; Ray, Saumi

doi:10.1016/j.ica.2017.04.003

Cited by 22 publications

(7 citation statements)

References 56 publications

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“…Because of the explosion in computing power of the past decade, structural investigations on zeolite adducts based essentially on modeling/simulation studiesoften aided by UV–vis spectroscopy experimentshave flourished in the recent past − so that an extensive literature is available, including important reviews . Besides providing structural information on the bulk material, simulations also allow to study phenomena taking place at the zeolite pore entrances, , which are of topic relevance in the self-assembly of dye–zeolite adducts.…”

Section: Introductionmentioning

confidence: 99%

Structure and Host–Guest Interactions of Perylene–Diimide Dyes in Zeolite L Nanochannels

et al. 2018

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Confinement-driven self-assembly of dyes in nanomatrices is an effective route for the production of hybrid supramolecular structures of high technological relevance, among which the archetypal zeolite L based systems are exploited in Forster resonance energy transfer (FRET) sensitized solar cells, luminescent solar concentrators, and color-changing media but also in sensing in analytical chemistry, biology, and diagnostics. Despite this progress in applications, the organization of confined chromophores in zeolite L materials remains elusive. Herein, by integrating experiments with different time scale and radiation source (IR, XRPD, total scattering) with first-principles DFT modeling, we attained a microscopically detailed picture of a technologically important hybrid composite of zeolite L with a perylene−diimide (also known as perylene−bisimide) dye at both hydrated and anhydrous conditions. The asymmetric positioning of the dye in the zeolite channel is determined by two factors: shapevolume constraints, and relative strength of competitive interactions among confined species. Our multitechnique experimental-theoretical approach thoroughly described the supramolecular chemistry of this hybrid material, identifiying possible strategies to further enhance FRET efficiency and improve functionality. This work deepens the understanding of host−guest interactions in dye−zeolite L composites, a key requirement to master the finely tuned mechanisms governing supramolecular organization in confined nanospaces.

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Section: Introductionmentioning

confidence: 99%

Structure and Host–Guest Interactions of Perylene–Diimide Dyes in Zeolite L Nanochannels

et al. 2018

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“…On the other hand, the LUMO+1 orbital has a minimal contribution from Pd d yz while LUMO+2 has a little contribution from the Pd d xy orbital. The nature of the molecular orbitals of similar salen complex has been discussed before in literature. − A look into the molecular orbitals of PdL2 (Figure S13 in Supporting Information) reveals that the HOMO has a strong contribution from the Pd d xz orbital hybridized with ligand p orbitals, and the LUMO is mainly the Pd d xy orbital similar to the case of PdL1. The HOMO–LUMO gap for PdL2 is 2.59 eV.…”

Section: Resultsmentioning

confidence: 66%

“…Vasudevan and co-workers have emphasized the geometries adopted by guest metal complexes upon encapsulation within the cavities of the host framework. From our group we have reported the design of different metal complexes with salen Schiff base ligands inside the zeolite-Y and MCM-41. − Although several reports explore the encapsulation of metal complexes inside zeolite-Y, very few actually focus on investigating the modified catalytic functionality of the encapsulated metal complex, originated from its structural modifications. Recently, we have reported the synthesis of a series of palladium salen complexes inside zeolite-Y.…”

Section: Introductionmentioning

confidence: 99%

Palladium–Schiff Base Complexes Encapsulated in Zeolite-Y Host: Functionality Controlled by the Structure of a Guest Complex

et al. 2019

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A series of palladium complexes of tetradendate Schiff base ligands L1 (N,N′-bis(salicylidene)phenylene-1,3-diamine) and its derivatives L2 and L3 have been synthesized by using the "flexible ligand method" within the supercage of zeolite-Y. These complexes in both their free and encapsulated states have been thoroughly characterized with the help of different characterization tools such as XRD, SEM-EDS, BET, thermal analysis, XPS, IR, and UV−vis spectroscopic studies. All these encapsulated complexes are identified with a dramatic red shift of the d−d transition in their electronic spectra when compared with their free states. Theoretical as well as experimental studies together suggest a substantial modification of the structural parameters of square planar Pd(II)−Schiff base complexes upon encapsulation within the supercage of zeolite-Y. Encapsulated complexes are also subject to show modified catalytic activities toward the Heck reaction. These heterogeneous catalysts can easily be separated from the reaction mixture and reused.

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“…So, for improving the efficiency of their catalytic activity and ease of separation from reaction media, scientists have tried to convert them into heterogeneous systems in various ways. In this light, several methods can be used, such as: (1) linking onto metal oxides such as silica, Fe 3 O 4 and so on, (2) immobilizing on organic supports like graphene oxide and carbon nanotubes, (3) copolymerizing and incorporating into an organic polymer like chitosan or porous polydivinylbenzene and (4) encapsulating in various zeolites …”

Section: Introductionmentioning

confidence: 99%

“…In this light, several methods can be used, such as: (1) linking onto metal oxides such as silica, Fe 3 O 4 and so on, [9][10][11] (2) immobilizing on organic supports like graphene oxide [12,13] and carbon nanotubes, [14] (3) copolymerizing and incorporating into an organic polymer like chitosan or porous polydivinylbenzene [15][16][17][18][19] and (4) encapsulating in various zeolites. [20][21][22] Organosulfur compounds such as sulfoxides and sulfones are very important compounds in organic chemistry. [23] In particular, sulfoxides are good chemicals, medicine and valuable intermediates in the synthesis of advantageous chemically and biologically active molecules.…”

Section: Introductionmentioning

confidence: 99%

Nickel(II) Schiff base complex supported on nano‐titanium dioxide: A novel straightforward route for preparation of supported Schiff base complexes applying 2,4‐toluenediisocyanate

Amoozadeh

Tabrizian

Shahjoee

2019

Applied Organom Chemis

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For the first time, a novel, straightforward and inexpensive route for immobilization of metals in Schiff base complex form is reported applying 2,4‐toluenediisocyanate as a precursor of primary amine group. A nickel(II) Schiff base complex supported on nano‐TiO2 was designed and synthesized as an effective heterogeneous nanocatalyst for organic reactions, and well characterized using various techniques such as Fourier transform infrared spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, X‐ray diffraction, energy‐dispersive X‐ray analysis and thermogravimetric analysis. The catalytic efficiency of the complex was evaluated in selective oxidation of sulfide to sulfoxide by hydrogen peroxide as an oxidant under solvent‐free conditions at room temperature, which successfully resulted in high yield and high conversion of products. Effective factors including solvent type, oxidant and catalyst amount were also optimized. The catalyst shows outstanding reusability and could be impressively recovered for six consecutive cycles without significant change of its catalytic efficiency.

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Encapsulated Schiff base nickel complex in zeolite Y: Correlation between catalytic activities and extent of distortion supported by experimental and DFT studies

Cited by 22 publications

References 56 publications

Structure and Host–Guest Interactions of Perylene–Diimide Dyes in Zeolite L Nanochannels

Structure and Host–Guest Interactions of Perylene–Diimide Dyes in Zeolite L Nanochannels

Palladium–Schiff Base Complexes Encapsulated in Zeolite-Y Host: Functionality Controlled by the Structure of a Guest Complex

Nickel(II) Schiff base complex supported on nano‐titanium dioxide: A novel straightforward route for preparation of supported Schiff base complexes applying 2,4‐toluenediisocyanate

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