Synthesis, crystal structures and density functional theory study of dimeric copper(II) complexes of a tridentate Schiff-base ligand

Three copper(ii) Schiff base complexes have been synthesized and characterized. Supramolecular assemblies in the solid state are analyzed by DFT calculations.

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Twisted intramolecular charge transfer: A time-dependent density functional theory study on the sensing mechanism of a Schiff base sensor for fluoride

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136894 ◽

2020 ◽

Vol 738 ◽

pp. 136894 ◽

Cited By ~ 2

Author(s):

Dong Liu ◽

Lei Shi ◽

Shu-Huan Gao ◽

Yu-Heng Wu ◽

Guang-Yue Li ◽

...

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Charge Transfer ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Twisted Intramolecular Charge Transfer ◽

Dependent Density

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Spectroscopic studies, Density Functional Theory calculations, and non‐linear optical properties of binuclear Fe( III ), Co( II ), Ni( II ), Cu( II ), and Zn( II ) complexes of OONN Schiff base ligand

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000024 ◽

2020 ◽

Vol 67 (10) ◽

pp. 1783-1793

Author(s):

Hussein Moustafa ◽

Gehad G. Mohamed ◽

Salwa Elramly

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Spectroscopic Studies ◽

Functional Theory ◽

Non Linear ◽

Linear Optical Properties

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CuII-Azide Polynuclear Complexes of Three Different Building Clusters with the Same Schiff-Base Ligand: Synthesis, Structures, Magnetic Behavior, and Density Functional Theory Studies

Crystal Growth & Design ◽

10.1021/cg500764g ◽

2014 ◽

Vol 14 (8) ◽

pp. 4177-4186 ◽

Cited By ~ 27

Author(s):

Sandip Mukherjee ◽

Partha Sarathi Mukherjee

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Magnetic Behavior ◽

Polynuclear Complexes ◽

Functional Theory ◽

Ligand Synthesis

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Relativistic Density Functional Theory Study of Dioxoactinide(VI) and -(V) Complexation with Alaskaphyrin and Related Schiff-Base Macrocyclic Ligands

The Journal of Physical Chemistry A ◽

10.1021/jp063060l ◽

2006 ◽

Vol 110 (30) ◽

pp. 9486-9499 ◽

Cited By ~ 47

Author(s):

Grigory A. Shamov ◽

Georg Schreckenbach

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Density Functional ◽

Macrocyclic Ligands ◽

Density Functional Theory Study ◽

Functional Theory

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Physicochemical characterization of nanobidentate ferrocene‐based Schiff base ligand and its coordination complexes: Antimicrobial, anticancer, density functional theory, and molecular operating environment studies

Journal of the Chinese Chemical Society ◽

10.1002/jccs.201800316 ◽

2019 ◽

Vol 66 (8) ◽

pp. 945-959 ◽

Cited By ~ 3

Author(s):

Walaa H. Mahmoud ◽

Nessma F. Mahmoud ◽

Gehad G. Mohamed

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Physicochemical Characterization ◽

Coordination Complexes ◽

Operating Environment ◽

Functional Theory ◽

Molecular Operating Environment

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Coordination behaviour, molecular docking, density functional theory calculations and biological activity studies of some transition metal complexes of bis-Schiff base ligand

Applied Organometallic Chemistry ◽

10.1002/aoc.4525 ◽

2018 ◽

Vol 33 (1) ◽

pp. e4525 ◽

Cited By ~ 5

Author(s):

Ehab M. Zayed ◽

Ahmed M.M. Hindy ◽

Gehad G. Mohamed

Keyword(s):

Density Functional Theory ◽

Biological Activity ◽

Schiff Base ◽

Molecular Docking ◽

Transition Metal Complexes ◽

Schiff Base Ligand ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Coordination Behaviour

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Synthesis, spectroscopic, electrochemical characterization, density functional theory (DFT), time dependent density functional theory (TD‐DFT), and antibacterial studies of some Co(II), Ni(II), and Cu(II) chelates of ( E )‐4‐(1,5‐dimethyl‐3‐oxo‐2‐phenyl‐2,3‐dihydro‐1 H ‐pyrazol‐4‐yl)‐1‐(3‐hydroxynaphthalen‐2‐yl)methylene) thiosemicarbazide Schiff base ligand

Applied Organometallic Chemistry ◽

10.1002/aoc.5729 ◽

2020 ◽

Vol 34 (8) ◽

Author(s):

Ayman K. El‐Sawaf ◽

Yasser K. Abdel‐Monem ◽

Maged A. Azzam

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Electrochemical Characterization ◽

Time Dependent ◽

Functional Theory ◽

Antibacterial Studies ◽

Td Dft ◽

Dependent Density

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Reactivity of a Phospholipid Monolayer Model under Periodic Boundary Conditions: A Density Functional Theory Study of the Schiff Base Formation between Phosphatidylethanolamine and Acetaldehyde

The Journal of Physical Chemistry B ◽

10.1021/jp1088367 ◽

2010 ◽

Vol 114 (48) ◽

pp. 15879-15885 ◽

Cited By ~ 18

Author(s):

Christian Solís-Calero ◽

Joaquín Ortega-Castro ◽

Francisco Muñoz

Keyword(s):

Density Functional Theory ◽

Schiff Base ◽

Density Functional ◽

Periodic Boundary ◽

Periodic Boundary Conditions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Schiff Base Formation ◽

Base Formation ◽

Monolayer Model

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Aggregation of Capped Hexaglycine Strands into Hydrogen-Bonding Motifs Representative of Pleated and Rippled β-Sheets, Collagen, and Polyglycine I and II Crystal Structures. A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp111501d ◽

2011 ◽

Vol 115 (6) ◽

pp. 1562-1570 ◽

Cited By ~ 12

Author(s):

Joshua A. Plumley ◽

Midas (I-Hsien) Tsai ◽

J. J. Dannenberg

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Crystal Structures ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Β Sheets

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