Exploring the structure, fluorescence properties and theoretical studies of newly synthesized Co(II), Ni(II) and Cd(II) complexes bearing acylhydrazone ligands

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1314, P. 138840 - 138840

Published: June 2, 2024

Language: Английский

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Dual detection of tryptophan and S2O82− by a simple yet rapid fluorometric half-salamo-based chemodosimeter in actual water samples

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1316, P. 139069 - 139069

Published: June 18, 2024

Language: Английский

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Structural and computational insights into two completely unanticipated Cu(II) and Ni(II) complexes derived from a bifunctional salamo-type bis(pyridine)-arm ligand

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1318, P. 139249 - 139249

Published: July 9, 2024

Language: Английский

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Two 1-D, 2-D, and 3-D silver(I) complexes: crystallography, spectroscopy, bacteriostatic activity studies and TD/DFT calculation, Hirshfeld surface analysis

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141972 - 141972

Published: March 1, 2025

Language: Английский

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Experimental and theoretical studies of trinuclear cadmium(II) complex containing pyridine ring: Synthesis, crystallographic, spectroscopic, TD/DFT calculations and Hirshfeld surface analysis

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1310, P. 138320 - 138320

Published: April 11, 2024

Language: Английский

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Construction, structure, computational and CDT antimicrobial effect studies of novel binuclear manganese(II) mono-salamo complex

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1321, P. 139888 - 139888

Published: Sept. 1, 2024

Language: Английский

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Cadmium(II) and Zinc(II) coordination polymers containing pyrazine ring: crystallographic, spectroscopic, TD/DFT calculations, bacteriostatic activity, and molecular docking

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142155 - 142155

Published: March 1, 2025

Language: Английский

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Electrochemical sensing properties of cobalt-based coordination polymers for trace l-tryptophan in milk

Dalton Transactions, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Two complexes 1 and 2 were synthesized via a hydrothermal method their electrochemical sensing behavior for l -tryptophan ( -Try) was investigated. In addition, the sensor successfully detected -Try during analysis of milk samples.

Language: Английский

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Crystallographic, spectroscopic, and antimicrobial activities of nickel(II) and cadmium(II) complexes with N-heterocycle: TD/DFT calculations and Hirshfeld surface analysis

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1301, P. 137297 - 137297

Published: Dec. 11, 2023

Language: Английский

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Design of New Schiff Bases and Their Heavy Metal Ion Complexes for Environmental Applications: A Molecular Dynamics and Density Function Theory Study

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(8), P. 4159 - 4159

Published: April 9, 2024

Schiff bases (SBs) are important ligands in coordination chemistry due to their unique structural properties. Their ability form complexes with metal ions has been exploited for the environmental detection of emerging water contaminants. In this work, we evaluated complexation three newly proposed SBs, 1-3, by complete conformational analysis, using a combination Molecular Dynamics and Density Functional Theory studies, understand coordinate toxic heavy (HMs) ions. From study, it emerges that all present geometries make them suitable complex HMs through N-imino moieties or, case 3, support oxygen atoms ethylene diether chain. particular, ligand shows most promising behavior, particularly Pb2+.

Language: Английский

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