Metal Complexes of π-Expanded Ligands (8): Cold Crystallization of bis[2-[(octylimino)methyl]-1-pyrenolato-N,O] copper(II) by Thermal Analyses, Magnetic Studies, and FT-IR

2021 ◽  
Vol 10 (2) ◽  
pp. 10-15
Author(s):  
Dien Luong Xuan
Keyword(s):  
Metal Complexes ◽  
Heat Storage ◽  
Alkyl Chain ◽  
Thermal Analyses ◽  
Cold Crystallization ◽  
Magnetic Studies ◽  
Heat Storage Materials ◽  
Ft Ir ◽  
Molecular Stacking ◽  
Long Alkyl Chain

Molecules exhibiting cold crystallization, an exothermic phenomenon in heating following supercooling, can be used as a heat-storing material. On the other hand, examples in non-polymers are still few. To test metal complexes as potential compounds for heat-storage materials, a salicylaldiminato-typed copper(II) complex, bis[2-[(octylimino)methyl]-1-pyrenolato-N,O] copper(II) 1(Cu), which had two different coloured forms and a characteristic long alkyl chain, exhibited complicated thermal behaviour including cold crystallization. The long alkyl chain was a steric barrier to molecular stacking, leading to the supercooled state. Besides, the two polymorphs were characterized by IR spectra studies and magnetic susceptibility.

scholarly journals Synthesis, characterization, thermal, theoretical and antimicrobial studies of Schiff base ligand and its Co(II) and Cu(II) complexes

2020 ◽  
Vol 85 (2) ◽  
pp. 215-225 ◽  
Author(s):  
Palaniswamy Venkittapuram ◽  
Mahalakshmi Dhandapani ◽  
Jonekirubavathy Suyambulingam ◽  
Chitra Subramanian
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Bacterial Species ◽  
Thermal Analyses ◽  
Fungal Species ◽  
Basis Sets ◽  
Chloride Salt ◽  
Antimicrobial Studies ◽  
Ft Ir

A Schiff base ligand L was synthesized by condensation of 1,2-diaminoethane with creatinine. The reaction of the ligand with metal chloride salt gives Co(II) and Cu(II) complexes. The synthesized ligand and its metal complexes were characterized by elemental analysis, FT-IR, NMR, UV?Vis, conductivity and magnetic susceptibility measurements as well as thermal analyses. Based on spectral data, tetrahedral geometries have been proposed for the Co(II) and Cu(II) complexes. The molar conductivity data show that the complexes are non-electrolytic in nature. In DFT studies, the geometry of the Schiff base ligand and its Co(II) and Cu(II) complexes were fully optimized using the B3LYP functional together with 6-31g(d,p) and LANL2DZ basis sets. The ligand and its metal complexes were tested against four bacterial species and two fungal species. The results revealed that the metal complexes are more potent against the microbes than the parent ligand.

scholarly journals Synthesis, Characterization, Antimicrobial and Theoretical Studies of V(IV),Fe(III),Co(II),Ni(II), Cu(II), and Zn(II)Complexes with Bidentate (NN) Donar Azo Dye Ligand

2016 ◽  
Vol 13 (4) ◽  
pp. 793-805
Author(s):  
Baghdad Science Journal
Keyword(s):  
Metal Complexes ◽  
Pathogenic Bacteria ◽  
Thermal Analyses ◽  
Heat Of Formation ◽  
Ratio Method ◽  
Theoretical Treatment ◽  
Spectroscopic Techniques ◽  
Ft Ir ◽  
Experimental Values ◽  
New Compounds

The new 4-[(7-chloro-2,1,3-benzoxadiazole)azo]-4,5-diphenyl imidazole (L) have been synthesized and characterized by micro elemental and thermal analyses as well as 1H.NMR, FT-IR, and UV-Vis spectroscopic techniques. (L) acts as a ligand coordinating with some metal ionsV(IV), Fe(III), Co(II), Ni(II), Cu(II), and Zn(II). Structures of the new compounds were characterized by elemental and thermal analyses as well as FT-IR and UV-Vis Spectra. The magnetic properties and electrical conductivities of metal complexes were also determined. Study of the nature of the complexes formed in ethanol following the mole ratio method.. The work also include a theoretical treatment of the formed complexes in the gas phase, this was done using the (hyperchem-8) program for the molecular mechanics and semi-empirical calculations. The heat of formation (?Hf?), binding energy (?Eb)and total energy (?ET) for ligand and their metal complexes were calculated by (PM3) method at 298 K.The electrostatic potential of the ligand (L) was calculated to investigate the reactive sites of the molecules. PM3 were used to evaluate the vibrational and electronic spectra for the ligand (L) and their metal complexes then comparing with the experimental values. The antibacterial activity for the (L)and its metal complexes were studied against two types of pathogenic bacteria Pseudonomous aerugionosa as gram negative and Bacillus subtilis as gram positive. Furthermore, the antifungal activity against two fungi Candida albicans, and Aspergillus flavus was studied for (L) and its metal complexes.

Polypyridyl iron(III) complexes containing long alkyl chains: Synthesis, characterization, DFT calculations and biological activity.

2021 ◽  
Author(s):  
Marcelo Melotti ◽  
Matheus dos Santos Sartori Paqui ◽  
Andre Luiz Amorim ◽  
Carla Peres de Paula ◽  
Marina Campos Rocha ◽  
...  
Keyword(s):  
Biological Activity ◽  
Dft Calculations ◽  
Metal Complexes ◽  
Alkyl Chain ◽  
Alkyl Chains ◽  
Polypyridyl Ligand ◽  
Iron Salts ◽  
Long Alkyl Chain

A polypyridyl ligand functionalized with a long alkyl chain (LC10) was prepared. Reaction of LC10 with selected iron salts of different stoichiometries formed two metal complexes: [Fe(LC10)(Cl)3] (1) and [Fe(LC10)2](ClO4)3...

Synthesis, spectral and thermo-kinetics explorations of Schiff-base derived metal complexes

2020 ◽  
Vol 18 (1) ◽  
pp. 1304-1315
Author(s):  
Naushad Ahmad ◽  
Manawwer Alam ◽  
Rizwan Wahab ◽  
Mukhtar Ahmed ◽  
Ashfaq Ahmad
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Thermal Analyses ◽  
Nitrogen Atmosphere ◽  
Molar Conductance ◽  
Spectral Parameters ◽  
Exponential Factor ◽  
One Step ◽  
Ft Ir ◽  
Thermodynamic Equations

AbstractSchiff-base ligand, 2,6-bis(benzimino)-4-phenyl-1,3,5-triazine (L), and its transition metal complexes of Co(ii), Ni(ii), and Cu(ii) were synthesized by refluxing the reaction mixture and its analytical, spectral, and thermogravimetric characteristics were explored by various techniques: AAS, FT-IR, UV-vis, TG-DTG, CHNS/O, and VSM. It was observed that all the metal containing complexes are non-electrolytic, mononuclear, and paramagnetic in nature, confirmed by the molar conductance and magnetic susceptibility measurements. Optical spectral data were used to investigate the geometrical and spectral parameters of [Co(L)(ac)2], [Ni(L)(ac)2], [Cu(L)(ac)2], [Cu(L)(acac)2], and [Cu(L)(fmc)2] complexes. Simultaneous thermal analyses (TG-DTG) in nitrogen atmosphere reveal that the ligand decomposes in one step, [Co(L)(ac)2], [Ni(L)(ac)2], and [Cu(L) (ac)2] complexes are decomposed in three steps, whereas [Cu(L)(acac)2] and [Cu(L) (fmc)2] are decomposed in five and two steps, respectively. In addition, activation energy (Ea) and pre-exponential factor (ln A) were evaluated by TG-DTG decomposition steps of compounds using the Coats–Redfern formula. Enthalpy (∆H), entropy (∆S), and Gibbs free energy (∆G) of the as-prepared metal complexes were also speculated by various thermodynamic equations.

Template mediated crystal engineering

1994 ◽  
Vol 52 ◽  
pp. 480-481
Author(s):  
Brigid R. Heywood ◽  
S. Champ
Keyword(s):  
Crystal Engineering ◽  
Electrostatic Interactions ◽  
Alkyl Chain ◽  
Crystallographic Axis ◽  
Two Dimensional ◽  
Engineering Process ◽  
Solution Interface ◽  
Extensive Program ◽  
Geometric Homology ◽  
Long Alkyl Chain

Recent work on the crystallisation of inorganic crystals under compressed monomolecular surfactant films has shown that two dimensional templates can be used to promote the oriented nucleation of solids. When a suitable long alkyl chain surfactant is cast on the crystallisation media a monodispersied population of crystals forms exclusively at the monolayer/solution interface. Each crystal is aligned with a specific crystallographic axis perpendicular to the plane of the monolayer suggesting that nucleation is facilitated by recognition events between the nascent inorganic solid and the organic template.For example, monolayers of the long alkyl chain surfactant, stearic acid will promote the oriented nucleation of the calcium carbonate polymorph, calcite, on the (100) face, whereas compressed monolayers of n-eicosyl sulphate will induce calcite nucleation on the (001) face, (Figure 1 & 2). An extensive program of research has confirmed the general principle that molecular recognition events at the interface (including electrostatic interactions, geometric homology, stereochemical complementarity) can be used to promote the crystal engineering process.

X-ray Crystallographic Study of Alkylammonium Anthracene-9-carboxylates as a Model for Fibrous Structure of Binary Anthracene Salt Gels

2004 ◽  
Vol 69 (6) ◽  
pp. 1292-1300 ◽  
Author(s):  
Tahahiro Tani ◽  
Kazuki Sada ◽  
Masatsugu Ayabe ◽  
Yuya Iwashita ◽  
Takanori Kishida ◽  
...  
Keyword(s):  
Alkyl Chain ◽  
Columnar Structure ◽  
Hydrogen Bond Network ◽  
One Dimensional ◽  
X Ray ◽  
Crystallographic Study ◽  
Alkylammonium Salts ◽  
Bond Network ◽  
Fibrous Assemblies ◽  
Long Alkyl Chain

Crystal structure of hexylammonium anthracene-9-carboxylate was investigated. The salt was arranged by a one-dimensional hydrogen bond network to form a columnar structure in the crystalline state. This columnar structure should be the model of fibrous assemblies in the organogels of anthracene-9-carboxylate alkylammonium salts having a long alkyl chain.

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