Monodentate N/S-donor benzothiazole and benzimidazole coordination to the [Re(CO)3]+ core

Niekerk, X. van; Gerber, Thomas; Hosten, Eric C.

doi:10.1016/j.poly.2021.115171

Cited by 5 publications

(2 citation statements)

References 30 publications

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“…[12] The latter is further substantiated by the fact that the benzothiazole C=N vibrational band were nearly identical to those of the following rhenium(I) compounds: fac-[Re(CO) 3 Cl-(abt) 2 ] (abt = 2-Aminobenzothiazole) with 1585 cm À 1 and fac-[Re(CO) 3 (bct)(NCMe) (bct = N-[1,3-benzotiazol-2-yl]-2-chloroacetamide) with 1555 cm À 1 . [27][28] As expected, the electronic spectra of the respective metal complexes recorded in a non-coordinating solvent, DMF show common intra-ligand electronic transitions when compared (below 400 nm) to their related free-ligands, see Figures S8 and S9. In addition, electronic transitions of the metal complexes found at more red-shifted positions are synonymous with charge transfer (CT) bands for these d 6 low-spin octahedral metal complexes.…”

Section: Synthesis and Spectral Characterizationsupporting

confidence: 71%

Exploring the Biomolecular and Cytotoxic Activities of Novel Rhenium(I) Compounds with 2‐Aminoguanidine‐Derived Schiff Bases

Mapapiro,

Davison,

Mambanda

et al. 2024

ChemistrySelect

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Section: Synthesis and Spectral Characterizationsupporting

confidence: 71%

Exploring the Biomolecular and Cytotoxic Activities of Novel Rhenium(I) Compounds with 2‐Aminoguanidine‐Derived Schiff Bases

Mapapiro,

Davison,

Mambanda

et al. 2024

ChemistrySelect

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“…The aminothiazole derivatives are, by far, the most significant heterocycles, which are widespread and essential to the diversity of natural products and medicinal agents . They have a range of therapeutic activities with a high degree of structural versatility that has been proved valuable in the quest for new therapeutic agents . The extensive variety of the pharmacological actions of specific derivatives has shown that such compounds are also of undoubted importance .…”

Section: Introductionmentioning

confidence: 99%

Aminothiazole-Linked Metal Chelates: Synthesis, Density Functional Theory, and Antimicrobial Studies with Antioxidant Correlations

Noreen

Sumrra

2021

ACS Omega

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During the current study, the new aminothiazole Schiff base ligands (S 1 ) and (S 2 ) were designed by reacting 1,3thiazol-2-amine and 6-ethoxy-1,3-benzothiazole-2-amine separately with 3-methoxy-2-hydroxybenzaldehyde in good yields (68−73%). The ligands were characterized through various analytical, physical, and spectroscopic (FT-IR, UV−Vis, 1 H and 13 C NMR, and MS) methods. The ligands were exploited in lieu of chelation with bivalent metal (cobalt, nickel, copper, and zinc) chlorides in a 1:2 (M:L) ratio. The spectral (UV−Vis, FT-IR, and MS), as well as magnetic, results suggested their octahedral geometry. The theoretically optimized geometrical structures were examined using the M06/6-311G+(d,p) function of density function theory. Their bioactive nature was designated by global reactivity parameters containing a high hardness (η) value of 1.34 eV and a lower softness (σ) value of 0.37 eV. Different microbial species were verified for their potency (in vitro), revealing a strong action. The Gram-positive Micrococcus luteus and Gram-negative Escherichia coli gave the highest activities of 20 and 21 mm for compounds (8) and ( 7), respectively. The antifungal activity against the Aspergillus niger and Aspergillus terreus species gave the highest activities of 20 and 18 mm for compounds ( 7) and ( 6), respectively. The antioxidant activity, evaluated as DPPH and ferric reducing power, gave the highest inhibition (%) as 72.0 ± 0.11% (IC 50 = 144 ± 0.11 μL) and 66.3% (IC 50 = 132 ± 0.11 μL) for compounds (3) and (8), respectively. All metal complexes were found to be more biocompatible than free ligands due to their chelation phenomenon. The energies of LUMOs had a link with their activities. ■ HIGHLIGHTS• A facile synthesis of aminothiazole-containing Schiff bases and their metal chelates. • Combined experimental and theoretical exploration to decide their medicinal role. • Geometry optimization studies at the M06/6-311G +(d,p) level of density function theory. • The relative order of medicinal studies was as follows:reference drugs > metal chelates > ligands.

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Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations

Adel

Hachani

Selatnia

et al. 2022

Journal of the Indian Chemical Society

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Monodentate N/S-donor benzothiazole and benzimidazole coordination to the [Re(CO)3]+ core

Cited by 5 publications

References 30 publications

Exploring the Biomolecular and Cytotoxic Activities of Novel Rhenium(I) Compounds with 2‐Aminoguanidine‐Derived Schiff Bases

Exploring the Biomolecular and Cytotoxic Activities of Novel Rhenium(I) Compounds with 2‐Aminoguanidine‐Derived Schiff Bases

Aminothiazole-Linked Metal Chelates: Synthesis, Density Functional Theory, and Antimicrobial Studies with Antioxidant Correlations

Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations

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