Diethylenetriamine/diamines/copper (II) complexes [Cu(dien)(NN)]Br 2 : Synthesis, solvatochromism, thermal, electrochemistry, single crystal, Hirshfeld surface analysis and antibacterial activity

Saleemh, Fatima Abu; Musameh, Sharif; Sawafta, Ashraf; Brandão, Paula; Tavares, C. J.; Ferdov, Stanislav; Barakat, Assem; Ali, Anas Al; Al-Noaimi, Mousa; Warad, Ismail

doi:10.1016/j.arabjc.2016.10.008

Cited by 53 publications

(14 citation statements)

References 32 publications

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“…4b), which built a 3D network around the center molecule. 2,[30][31][32][33][34][35] The shortest H-bonds are identied as C]O/H-N type with 2.138 A length, followed by two -N-H/N types with 2.336 and 2.546 A which is consistent with the XRD result. No true C-H/S thiophene H-bond was detected by the Hirshfeld surface; meanwhile, XRD analysis reected such bond as H-bond with 2.993 A bond lengths.…”

Section: Crystal Interactions Hsa 2d Ngerprint (Fp) and Mep Investsupporting

confidence: 86%

“…6d, the small bathochromic shi ($5 nm) detected between exp./DFT can be resonated to solutesolvent interactions behavior. 17,[30][31][32][33][34][35] NPA and Mulliken charges play a critical role in theoretical quantum-charge distribution; it revealed information about electrophilic and nucleophilic sited on molecule. 17,30 B3LYP/6-31G(d) Mulliken population and NPA charge analysis of the desired compound were illustrated in Fig.…”

Section: Amide Imidic Tautomerizationmentioning

confidence: 99%

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Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kineticsviaFWO and KAS models

et al. 2020

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Section: Crystal Interactions Hsa 2d Ngerprint (Fp) and Mep Investsupporting

confidence: 86%

Section: Amide Imidic Tautomerizationmentioning

confidence: 99%

Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kineticsviaFWO and KAS models

et al. 2020

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“…The quasi-reversibility associated with the reduction process probably arises as a consequence of a geometry change from the originally square pyramid towards a distorted tetrahedral environment around the Cu(I) species [25,26].…”

Section: Electrochemical Behaviourmentioning

confidence: 99%

“…The coordination chemistry of diamines ligands with copper(II) complexes has attracted attention considering their important catalytic, structural, magnetic and biological properties [25,26]. Only a small number of asymmetric diamines ligands with alkyl nitrogen atom (R 2 N) and aprotic nitrogen atom (H 2 N), such as N,Ndimethylethylenediamine have been investigated in Cu(II) complexation.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, solvatochromism and crystal structure of trans -[Cu(Et 2 NCH 2 CH 2 NH 2 ) 2 .H 2 O](NO 3 ) 2 complex: Experimental with DFT combination

Warad

Musameh

Badran

et al. 2017

Journal of Molecular Structure

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In this study, two dicationic asymmetrical diamine/copper(II) nitrate salt complexes of the general formula trans-[Cu II (NN 0) 2 .H 2 O](NO 3) 2 were successfully synthesized using N,N-dimethylethylenediamine and N,N-diethylethylenediamine as asymmetrical diamine ligands. The structure of complex 2 was identified by X-ray single crystal diffraction analysis confirming that the bidentate ligand N,N-dimethylethylenediamine forms a penta-coordinated complex with an H 2 O molecule located around the copper(II) ion in a trans configuration. It was found that the metal centre is coordinated in a distorted square pyramidal fashion with a t value of 0.274. The desired complexes were fully characterized using, MS, UVeVis, CV, FTIR, TG/DTA, and Hirshfeld surface computational analysis. High level theoretical calculations were also performed in order to investigate the complexes structure, conformers, vibrational frequencies, and their excited states.

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“…Recently, Saleemh et al . have reported that copper (II) complexes have been found to exhibit prominent antimicrobial and anticancer potential activity by inducing apoptosis . Bacteria are very strong and have already developed struggle to many regularly used antibiotics.…”

Section: Resultsmentioning

confidence: 99%

Catalytic and biological valorization of a supramolecular mononuclear copper complex based 4‐aminopyridine

Hfidhi

Bkhairia

Atoui

et al. 2019

Applied Organom Chemis

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Hydrothermal reaction of copper bromide with 4‐aminopyridine in DMF solution yields a new mononuclear copper complex [Cu(C5H6N2)4]2Br.2(C3H7NO) abbreviated Cu‐4AP‐Br. The product was characterized, structurally, by single‐crystal X‐ray diffraction analysis and, thermally, by DSC‐ATG measurement. The inorganic–organic hybrid compound Cu‐4AP‐Br crystallizes in the centrosymmetric space group Pbcn, exhibiting a supramolecular network. Simultaneous DSC‐ATG analysis shows that this compound remains stable up to 100 °C and then performs a successive decompositions accompanied with endothermic peaks. The complex Cu‐4AP‐Br was applied as a catalyst in the Heck coupling reaction under ultrasonic irradiation in various reaction conditions. The yields, obtained for a short period of time, allow us to consider this complex, generating selectivity on the external position of styrene with a preference of the trans form over cis, as an excellent catalyst for this type of reaction. Interestingly, Cu‐4AP‐Br displayed important antibacterial (Gram‐positive and Gram‐negative) and antioxidant activities (β‐carotene bleaching inhibition, scavenging effect on DPPH free radical, and reducing power).

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Diethylenetriamine/diamines/copper (II) complexes [Cu(dien)(NN)]Br 2 : Synthesis, solvatochromism, thermal, electrochemistry, single crystal, Hirshfeld surface analysis and antibacterial activity

Cited by 53 publications

References 32 publications

Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kineticsviaFWO and KAS models

Synthesis and amide imidic prototropic tautomerization in thiophene-2-carbohydrazide: XRD, DFT/HSA-computation, DNA-docking, TG and isoconversional kineticsviaFWO and KAS models

Synthesis, solvatochromism and crystal structure of trans -[Cu(Et 2 NCH 2 CH 2 NH 2 ) 2 .H 2 O](NO 3 ) 2 complex: Experimental with DFT combination

Catalytic and biological valorization of a supramolecular mononuclear copper complex based 4‐aminopyridine

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