Evaluating the component contribution to nonlinear optical performances using stable [Ni<sub>4</sub>O<sub>4</sub>] cuboidal clusters as models

Hao, Zengzhou; Chao, Meng-Yao; Liu, Yan; Ye, Song; Yang, Junyi; Ding, Lifeng; Zhang, Wen Hua; Lang, Jian‐Ping

doi:10.1039/c8dt02080a

Cited by 12 publications

(8 citation statements)

References 69 publications

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“…[1][2][3][4] Coordination complexes with NLO response properties have attracted increasing attention as potential molecular building block materials for optical communications and optical data processing. [5][6][7][8] There are several reports about metal (II) complexes highlighting the NLO properties, which also possess the advantages of organic and metallic properties. [9][10][11][12] On the other hand, the world is currently fighting a COVID-19 pandemic.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

et al. 2021

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The present investigation uses a dual approach to study the copper (II) complex [Cu(phen) 3 ]. (ClO 4) 2 .HL.CH 3 CN (1) and its cationic complex-[Cu(II)(phen) 3 ] 2 + (1 a), where, HL = 4-Bromo-2((Z)-(naphthalene-4-ylimino)methyl)phenol, phen = 1,10-phenanthroline. The complex (1) crystallized in the triclinic system of the space group P-1 with two molecules in the unit cell and reveals a distorted octahedral geometry. Inspiring by recent developments to find a potential inhibitor for the COVID-19 virus, we have also performed molecular docking study of [Cu(phen) 3 ] + 2 to see if our novel complex shows an affinity for the main protease (M pro) of COVID-19 spike protein. Interestingly, the results are found quite encouraging where the binding affinity and inhibition constant were found to be À 8.400 kcal/mol and 0.661 μM, respectively, for the bestdocked confirmation of [Cu(II)(Phen) 3 ] + 2 complex with M pro protein. This binding affinity is reasonably well as compared to recently known antiviral drugs. For instance, the binding affinity of [Cu(II)(Phen) 3 ] + 2 complex is found to be better than recently docking results of chloroquine (À 6.293 kcal/mol), hydroxychloroquine (À 5.573 kcal/mol) and remdesivir (À 6.352 kcal/mol) with M pro protein. Thus, we believe the broad-spectrum functional properties of our complex will provoke not only the interest of material chemists in materials designing but also incite the drug designing community.

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Section: Introductionmentioning

confidence: 99%

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

et al. 2021

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“…The Ag 4 cubane further features eight Ag–O bonds and two carboxylate (O–C–O) bridges to define its 12 edges. Notably, such Ag 4 cubane, with argentophilicity, might play a structural dictating role, in contrast to those cuboidal clusters such as Ni 4 formed by alternatively arranged Ni and O vertices …”

Section: Resultsmentioning

confidence: 99%

Water-Stable Silver-Based Metal–Organic Frameworks of Quaternized Carboxylates and Their Antimicrobial Activity

Xie

Chai

Cheng

et al. 2020

ACS Appl. Bio Mater.

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Three-dimensional (3D) and two-dimensional (2D) Ag-based zwitterionic metal–organic frameworks (MOFs) [Ag2(Cedcp)] n (1, 3D, H3CedcpBr denotes N-(carboxyethyl)-(3,5-dicarboxyl)-pyridinium bromide) and {[Ag4(Cmdcp)2(H2O)4]·4H2O} n (2, 2D, H3CmdcpBr denotes N-(carboxymethyl)-(3,5-dicarboxyl)-pyridinium bromide) have been prepared and investigated for antimicrobial activity via minimal inhibition concentration (MIC) test and killing kinetic assay. Both MOFs 1 and 2 show good water stability and solubility ascribed to their characteristic aromatic rings and positively charged pyridinium of the ligands, as well as the presence of Ag+ on their surface, leading to strong antimicrobial activity and a wide antimicrobial spectrum toward Gram-negative and positive bacteria. The results indicated that MOF 2 possesses a faster antibacterial activity (60 min) than MOF 1 (120 min). Scanning electron microscopy analysis further suggests that the Ag-based MOFs are capable of rupturing the bacterial membrane, leading to cell death. Moreover, both MOFs exhibit little hemolytic activity against mouse erythrocytes and show good biocompatibility in vitro, rendering MOFs 1 and 2 potential therapeutic agents for diseases caused by bacteria.

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“…Other experimental conditions for these NLO measurements were the same as described in our previous articles. [ 18,20,51 ]…”

Section: Methodsmentioning

confidence: 99%

“…Transition metal clusters of organo‐thiometallates such as [Cp*MS 3 ] − (Cp* = pentamethylcyclopentadienyl; M = Mo, W), [ 1 ] [TpMoS(S 4 )] − , [Tp*MoS(S 4 )] − , [TpWS 3 ] − and [Tp*WS 3 ] − (Tp = hydridotris(pyrazol‐1‐yl)borate; Tp* = hydridotris(3,5‐dimethylpyrazol‐ 1‐yl)borate) [ 2 ] have been extensively investigated in the last two decades because of their diverse structural characteristics, [ 3‐9 ] their revelation to biological systems, [ 10‐13 ] catalysis, [ 14‐15 ] and optoelectronic materials. [ 3,16‐24 ] In this regard, we and others have developed a keen interest in the development of molecular arrays from preformed Mo(W)‐Cu(Ag)‐S clusters. [ 25‐29 ] Some of these molecular entities are capable of gas adsorption, [ 30 ] sensing, [ 31 ] or exhibit nonlinear optical properties.…”

Section: Background and Originality Contentmentioning

confidence: 99%

Butterfly and Nest‐Shaped Tp*‐W‐Cu‐S Cluster Monomers and Dimers with Hexamethylenetetramine as Ligand: Anion‐Dependent Structures and Nonlinear Optical Properties

Liu

et al. 2021

Chin. J. Chem.

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Main observation and conclusion The assembly of [Et4N][Tp*WS3] (1) with CuX (Tp* = hydridotris(3,5‐dimethylpyrazol‐1‐yl)borate; X = Cl, Br, and I) or [Cu(MeCN)4][PF6] in the presence of tetratopic ligand hexamethylenetetramine (HMT) afforded an array of four cluster‐based compounds, which are either neutral or anionic. These compounds include [Tp*WS3Cu3Cl2(HMT)] (2, monomer, neutral), [Tp*WS3Cu3Br2(HMT)] (3, monomer, neutral), [Tp*WS3Cu3I1.5(HMT)]2I (4, dimer, anionic), and [Tp*WS3Cu2(HMT)]2(PF6)2 (5, dimer, anionic). The size of the halogen is found to dictate the structures (2/3 versus 4), and the presence/absence of halogen also affects the utilization of coordinate site of HMT (4 versus 5) by creating more available Cu(I) site in the case of 5. The structures of 2—5 are also characterized using elemental analysis, Fourier‐transform infrared (FT‐IR) spectra, and ultraviolet‐visible (UV‐Vis) spectroscopy, with the dimeric structure of 5 also selected for the third‐order nonlinear optical (NLO) property investigations. The NLO measurement results suggest that the hyperpolarizability value (γ) of 5, reflecting its NLO properties as a neat material, features 2.12×10−30 esu, and it is comparable to other W/Cu/S cluster‐based molecular entities, rendering 5 a promising NLO‐active material.

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Evaluating the component contribution to nonlinear optical performances using stable [Ni₄O₄] cuboidal clusters as models

Cited by 12 publications

References 69 publications

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

Water-Stable Silver-Based Metal–Organic Frameworks of Quaternized Carboxylates and Their Antimicrobial Activity

Butterfly and Nest‐Shaped Tp*‐W‐Cu‐S Cluster Monomers and Dimers with Hexamethylenetetramine as Ligand: Anion‐Dependent Structures and Nonlinear Optical Properties

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Evaluating the component contribution to nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models

Cited by 12 publications

References 69 publications

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

Water-Stable Silver-Based Metal–Organic Frameworks of Quaternized Carboxylates and Their Antimicrobial Activity

Butterfly and Nest‐Shaped Tp*‐W‐Cu‐S Cluster Monomers and Dimers with Hexamethylenetetramine as Ligand: Anion‐Dependent Structures and Nonlinear Optical Properties

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Evaluating the component contribution to nonlinear optical performances using stable [Ni₄O₄] cuboidal clusters as models