New kind of electride sandwich complexes based on the cyclooctatetraene ligand M12(η8-C8H8)2M22(M1= Na, K and M2= Ca, Mg): a theoretical study

Roy, Ria Sinha; Ghosh, Avik; Banerjee, Soumadip; Ghosh, Suniti; Das, Abhijit K.

doi:10.1039/d2cp04127h

Cited by 7 publications

(1 citation statement)

References 142 publications

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“…A remarkably higher hyperpolarizability (1.26 × 10 5 au) is calculated by Wang et al for Be(NH 3 ) n M complexes (where n = 1–3 and M = Ca, Be) in comparison to Li(NH 3 ) n Na (n = 1–3) [ 45 ]. Roy et al theoretically studied the NLO response of binuclear sandwich electrides M 1 2 (η 8 -C 8 H 8 ) 2 M 2 2 (M 2 = Mg, Ca & M 1 = K, Na) and observed high hyperpolarizability value in the range of 2.6 × 10 5 to 1.4 × 10 6 au [ 46 ]. A type of dual metals earthides Met + (26 Adz)Met − (Met − = Ca, Mg, Be & Met + = Na, Li) are introduced by Ahsan et al, they noticed excellent hyperpolarizability for these complexes than alkalides [ 47 ].…”

Section: Introductionmentioning

confidence: 99%

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

Kosar,

Wajid,

Ayub

et al. 2023

Heliyon

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Section: Introductionmentioning

confidence: 99%

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

Kosar,

Wajid,

Ayub

et al. 2023

Heliyon

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Improving the Efficiency of Luminescent Zn(II)‐Modified N‐Doped GOQD Nanomaterials in Parkinson's Disease Treatment: A Theoretical Mechanistic Framework Exploring Doping Effect

Biswas,

Chowdhury,

Banerjee

et al. 2024

Chemistry An Asian Journal

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Levodopa, a widely prescribed drug in Parkinson's disease treatment, stands as the foremost prodrug of dopamine. An affordable self‐testing kit is utilized to monitor levodopa content in anti‐parkinson drugs in human serum. A photoluminescent trinuclear Zn(II) complex [Zn3(L)2(κ1‐OAc)2(κ2‐OAc)2] has been synthesized, which cleaves into mononuclear ZC in aqueous solution. ZC was found to detect L‐Dopa in Tris‐HCl buffer, exhibiting a moderate decrease in PL‐emission. The real‐life utility of the ZC probe is limited, for its lower sensitivity (LOD 35.3 µM) and separation challenges. Therefore, an interface between homogeneous and heterogeneous supports has been explored, leading to the strategic development of NGOZC, where ZC was grafted onto NGOQD. This material enables naked‐ eye detection under both ambient and UV light with color change from bright cyan to green, followed by dark. The nitrogen doping effect was investigated by several comparative investigations involving the synthesis of ZC‐grafted GOQD, leading to enhanced quenching performance. Steady‐state and time‐resolved fluorescence titration study, morphological analysis, and computational calculations have been performed to get insights into the sensing mechanism. To the best of our knowledge, this as‐synthesized NGOZC (LOD 1.78 nM) represents a promising strategy and platform for applications in biosensors, especially for Parkinson's and Alzheimer's diseases.

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Rational Design of Highly Porous Donor–Acceptor Based Conjugated Microporous Polymer for Photocatalytic Benzylamine Coupling Reaction

Bhattacharjee,

Mondal,

Ghosh

et al. 2024

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Conjugated microporous polymers (CMPs) are an important class of organic materials with several useful features like, inherent nanoscale porosity, large specific surface area and semiconducting properties, which are very demanding for various sustainable applications. Carbazole building blocks are extensively used in designing photocatalysts due to easy electron donation and hole transportation. In the current study, a new CMP material CBZ‐CMP containing carbazole unit used for photocatalytic C═N coupling reaction under blue light irradiation is designed. The CBZ‐CMP framework is made through the polycondensation of 4,4′‐di(9H‐carbazol‐9‐yl)‐1,1′‐biphenyl using FeCl3 as a catalyst. The CBZ‐CMP shows very high BET surface area of 1536 m2 g−1 together with unimodal porosity (ca. 1.7 nm supermicropore), nanowire‐like particle morphology (16–18 nm diameter), and low band gap property. The bi‐phenyl moiety functions as the electron accepting center and the carbazole unit acts as the donor center, which accounts for the low band gap energy of CBZ‐CMP. This nanoporous semiconducting CBZ‐CMP material for photocatalytic benzylamine coupling reaction is explored, where it shows good conversion together with high selectivity under mild reaction conditions. This study offers simple method of preparation of a D–A–D‐based porous photocatalyst for sustainable synthesis of value‐added organics.

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New kind of electride sandwich complexes based on the cyclooctatetraene ligand M¹₂(η⁸-C₈H₈)₂M²₂(M¹= Na, K and M²= Ca, Mg): a theoretical study

Abstract: In the present study, the electronic structures of a series of binuclear sandwich complexes based on the cyclooctatetraene ligand M12(η8-C8H8)2M22 (M1 = Na, K and M2 = Ca, Mg) are studied theoretically.

Cited by 7 publications

References 142 publications

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

Improving the Efficiency of Luminescent Zn(II)‐Modified N‐Doped GOQD Nanomaterials in Parkinson's Disease Treatment: A Theoretical Mechanistic Framework Exploring Doping Effect

Rational Design of Highly Porous Donor–Acceptor Based Conjugated Microporous Polymer for Photocatalytic Benzylamine Coupling Reaction

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