4.7 Article

Self-assembly, crystal structure, computational studies, optical investigation, magnetic and biological properties of novel compounds based on methoxyphenyl piperazinium ligand

Related references

Note: Only part of the references are listed.
Article Chemistry, Inorganic & Nuclear

Experimental and theoretical investigation of a new non-symmetric salamo-like ligand and its tri-nuclear Zn(II) and Ni(II) complexes

Ying Huang et al.

Summary: Neutral homotrinuclear complexes [{Zn-3(L)(2)(mu-OAc)(2)}(2)].5EtOH and [Ni-3(L)(2)(mu-OAc)(2)(MeOH)(2)].2MeOH were synthesized and structurally characterized with X-ray diffraction. The Zn(II) and Ni(II) complexes consist of two (L)(2-) units combined with three metal(II) ions, with bridging mu-OAc- ions neutralizing the charge and stabilizing the trinuclear structure. The Zn(II) complex has mu-OAc- ions on the same side, while the Ni(II) complex has them on different sides. UV-vis absorption analysis confirmed the coordination of the ligand to Zn(II) and Ni(II) atoms, DFT calculations revealed the higher kinetic stability and lower chemical reactivity of the complexes. Fluorescence analysis showed electron transfer to the empty orbitals of Zn(II) and Ni(II) atoms. Hirshfeld surfaces and electrostatic potential analyses provided insights into the crystal structures and sites favorable for hydrogen bonds.

INORGANICA CHIMICA ACTA (2023)

Article Chemistry, Physical

Structural, theoretical and optical investigations of two lateral twisting trinuclear Co(II) and Ni(II) salamo type complexes

Ying Huang et al.

Summary: Two trinuclear Co(II) and Ni(II) complexes, [{Co3(L)2(mu-OAc)2 }2]·3CH2Cl2 (1) and [Ni3(L)2(mu-OAc)2(EtOH)2]·2EtOH (2), have been successfully synthesized using a new nonsymmetrical Salamo-type ligand H2L with Co(OAc)2·4H2O and Ni(OAc)2·6H2O. X-ray crystallography analysis revealed that complex 1 is an unsymmetric trinuclear structure with penta-coordinated and hexa-coordinated Co(II) atoms, while complex 2 is a centrosymmetrical trinuclear structure with hexa-coordinated Ni(II) atoms. Physicochemical and spectroscopic characterization confirmed the formation of chemical bonds between the phenolic oxygen atoms in the ligand H2L and the Co(II) and Ni(II) atoms.

JOURNAL OF MOLECULAR STRUCTURE (2023)

Article Chemistry, Physical

Self-assembly, physico-chemical characterization, biological, virtual screening, and computational approach of novel 2-amino pyridine derivatives

Jawher Makhlouf et al.

Summary: Two novel compounds were synthesized and grown at room temperature, and their properties were investigated using various techniques. The crystal structures of both compounds were determined to be monoclinic, and compound (I) contains distorted tetrahedral [Zn(SCN)4] anions. Compound (II) forms a three-dimensional network through various intermolecular interactions. The compounds also exhibit fascinating electrical behavior, making them suitable for the development of photonic and non-linear optical devices. Additionally, the compounds showed high chelating power and antioxidant activity.

JOURNAL OF MOLECULAR STRUCTURE (2023)

Article Chemistry, Inorganic & Nuclear

An investigation into luminescent phenoxo-bridged heterobimetallic copper(II)-calcium(II)/strontium(II)-based bis(salamo)-like complexes

Ting Zhang et al.

Summary: In this study, two luminescent hetero-trinuclear complexes were successfully synthesized by reacting a flexible bis(salamo)-based ligand (H4L) with Cu(NO3)center dot 3H(2)O and M(OAc)(2)center dot nH(2)O (M(II) = Sr, n = 2; Ca, n = 1). The structural characterizations, Hirshfeld surface analyses, DFT calculations, and fluorescence properties testing were performed to investigate the properties of the complexes.

TRANSITION METAL CHEMISTRY (2022)

Article Chemistry, Inorganic & Nuclear

Growth, single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular dynamics simulations, molecular docking, physico-chemical characterization and biological activity of novel thiocyanic complex with zinc transition metal precursor

Jawher Makhlouf et al.

Summary: This work focuses on the study of novel thiocyanic complexes formed by the interaction of cationic entities with thiocyanate ligands. The complex (C11H18N2O)[Zn(SCN)(4)] was synthesized and its crystal structure was determined by single crystal X-ray crystallography. The compound was characterized using various analytical techniques such as infrared spectroscopy, UV-visible analysis, and thermal analysis. The antibacterial properties of the complex were also evaluated, and molecular docking and molecular dynamic simulations were performed to determine its binding affinity with different antibacterial targets. The results suggest that the compound shows strong and stable interactions with the MurF enzyme, which is involved in bacterial peptidoglycan synthesis.

POLYHEDRON (2022)

Article Chemistry, Inorganic & Nuclear

Studies on two phenoxo-bridged homopolynuclear Cu(II) bis(salamo) type complexes based on theoretical calculations and fluorescence properties

Jian Zhang et al.

Summary: In this study, two Cu(II) complexes based on a new bis(salamo) ligand were successfully synthesized and characterized. Complex 1 is a dinuclear complex with a two-dimensional and one-dimensional network structure, while complex 2 is a tetranuclear complex with a three-dimensional and one-dimensional network structure. DFT calculations confirmed the stability of both complexes, and fluorescence spectroscopy research illustrated their luminescent properties.

POLYHEDRON (2022)

Article Multidisciplinary Sciences

Self-assembly of new cobalt complexes based on [Co (SCN)4], synthesis, empirical, antioxidant activity, and quantum theory investigations

Amal Ferchichi et al.

Summary: The cobalt (II) complexes containing 3,4-dimethylaniline and histamine were successfully synthesized and their crystal structures were determined by X-ray diffraction. Spectroscopic, thermal and quantum chemical analyses confirmed their chemical reactivity and stability.

SCIENTIFIC REPORTS (2022)

Article Chemistry, Physical

Synthesis, crystal structure, high-resolution 113Cd and 13C MAS NMR investigation and dielectric study of [C2H10N2]Cd (SCN)4

Hiba Souidi et al.

Summary: A new crystalline polymer compound was synthesized and analyzed with various techniques, revealing unique structural and bonding characteristics. The compound exhibited phase transitions, temperature-dependent conductivity, and frequency-dependent AC conductivity following specific dynamic laws. Quantum mechanical tunneling mechanism was suggested to prevail in certain phases based on the temperature evolution of certain properties.

JOURNAL OF MOLECULAR STRUCTURE (2021)

Article Biochemistry & Molecular Biology

In silico, theoretical biointerface analysis and in vitro kinetic analysis of amine compounds interaction with acetylcholinesterase and butyrylcholinesterase

Saravanan Kandasamy et al.

Summary: In this study, three amine compounds were identified through virtual screening, molecular docking analysis, and molecular dynamics simulation to have the best interaction with AChE/BChE, with their stable binding attributed to noncovalent interactions. In vitro analysis showed that these compounds exhibited moderate mixed-type inhibition against AChE/BChE.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2021)

Article Materials Science, Multidisciplinary

Kramers doublet ground state in topological Kondo insulators

M. A. Griffith et al.

PHYSICAL REVIEW B (2019)

Article Chemistry, Inorganic & Nuclear

Structures, Thermodynamic Relations, and Magnetism of Stable and Metastable Ni(NCS)(2) Coordination Polymers

Tristan Neumann et al.

INORGANIC CHEMISTRY (2018)

Article Chemistry, Inorganic & Nuclear

Structural Diversity in Ni Chain Coordination Polymers: Synthesis, Structures, Isomerism and Magnetism

Aleksej Jochim et al.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Transition Metal Thiocyanate Complexes of Picolylcyanoacetamides

Yuniar P. Prananto et al.

AUSTRALIAN JOURNAL OF CHEMISTRY (2017)

Article Biochemistry & Molecular Biology

New cobalt(II) and nickel(II) complexes of benzyl carbazate Schiff bases: Syntheses, crystal structures, in vitro DNA and HSA binding studies

Palanivelu Nithya et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY (2016)

Article Chemistry, Multidisciplinary

Ferromagnetic Coupling Through the End-to-End Thiocyanate Bridge in Cobalt(II) and Nickel(II) Chains

Joanna Palion-Gazda et al.

CRYSTAL GROWTH & DESIGN (2015)

Article Chemistry, Inorganic & Nuclear

Thermochromism and switchable paramagnetism of cobalt(II) in thiocyanate ionic liquids

Stephen J. Osborne et al.

DALTON TRANSACTIONS (2015)

Article Chemistry, Multidisciplinary

SHELXT - Integrated space-group and crystal-structure determination

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2015)

Article Chemistry, Inorganic & Nuclear

Synthesis, Crystal Structures, and Spectroscopic and Thermal Properties of New Cobalt Thiocyanato Coordination Compounds Based on 3-Methylpyridine as a Neutral Coligand

Jan Boeckmann et al.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES (2015)

Article Chemistry, Inorganic & Nuclear

Linkage Isomerism in Coordination Polymers

Samia Benmansour et al.

INORGANIC CHEMISTRY (2012)

Software Review Chemistry, Multidisciplinary

WinGX and ORTEP for Windows: an update

Louis J. Farrugia

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2012)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Crystallography

Self-Assembly of Two Isomorphous Thiocyanate Complexes of Co(II) and Ni(II) with 3-Hydroxypicolinamide

Marijana Dakovic et al.

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY (2011)

Article Chemistry, Multidisciplinary

Revealing Noncovalent Interactions

Erin R. Johnson et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Article Chemistry, Multidisciplinary

Hirshfeld surface analysis

Mark A. Spackman et al.

CRYSTENGCOMM (2009)

Article Crystallography

2,6-Dimethylanilinium chloride monohydrate

Wajda Smirani et al.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE (2008)

Article Crystallography

4-(2,3-dimethylphenyl)piperazin-1-ium chloride monohydrate

Imen Ben Gharbia et al.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE (2008)

Article Chemistry, Inorganic & Nuclear

Magnetic properties of six-coordinated high-spin cobalt(II) complexes:: Theoretical background and its application

Francesc Lloret et al.

INORGANICA CHIMICA ACTA (2008)

Article Chemistry, Inorganic & Nuclear

Polymorphism in [Co(SCN)4(ppz-H)2] (ppz, piperazine)

Subal Chandra Manna et al.

POLYHEDRON (2008)

Article Chemistry, Physical

Novel fluorescence probe based on pyrene and piperazine;: spectral properties in solution and in polymer matrices

P Hrdlovic et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2004)

Review Chemistry, Multidisciplinary

Noncovalent interactions: A challenge for experiment and theory

K Muller-Dethlefs et al.

CHEMICAL REVIEWS (2000)