Synthesis, Structural Characterization and DFT Studies of Silver(I) Complex Salt of Bis(4,5-dihydro-1&amp;lt;i&amp;gt;H&amp;lt;/i&amp;gt;-benzo[g]indazole)

Fomuta, Tanyi Rogers; Djimassingar, Golngar; Ngoune, Jean; Ngnabeuye, Nana Odette; Anguilé, Jean Jacques; Nenwa, Justin

doi:10.4236/csta.2017.62002

Cited by 6 publications

(4 citation statements)

References 18 publications

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“…6,28 A new peak particularly observed in the cobalt complexes, respectively, at 839 cm −1 and 842 cm −1 for complexes ( 1 ) and ( 2 ) indicates the presence of coordinated water molecules. 29 Some characteristic infrared vibration frequencies of the Co–acylpyrazolone complexes are presented in Table S5 †. The absorption spectra of the acylpyrazolone ligands and their corresponding cobalt complexes (Fig.…”

Section: Resultsmentioning

confidence: 99%

Distorted octahedral cobalt(ii)–acylpyrazolone complex with a tunable lattice-strain structure – an efficient electrocatalyst for overall water splitting

Anensong

Vengatesan

Kuate

et al. 2023

Catal. Sci. Technol.

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Section: Resultsmentioning

confidence: 99%

Distorted octahedral cobalt(ii)–acylpyrazolone complex with a tunable lattice-strain structure – an efficient electrocatalyst for overall water splitting

Anensong

Vengatesan

Kuate

et al. 2023

Catal. Sci. Technol.

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“…The geometric parameters of these optimized structures are summarized on Table 5 and Table 6. All the bonds around the Zn(II) center in 1 and 2 are slightly elongated in the optimized structure with acceptable discrepancies ranging from 0.010 -0.083 Å in 1 and 0.024 - green colors represent the negative phases [22]. The figure shows that major contributions to the HOMO of complex 1 are made by the formate ligands while the main contributions to the HOMO in compound 2 are made by one water molecule of crystallization.…”

Section: Dft Studiesmentioning

confidence: 94%

Synthesis, Characterization and DFT Studies of Two Zinc(II) Complexes Based on 2-Isopropylimidazole

Anguilé¹,

Ngnabeuye²,

Bridget³

et al. 2018

OJIC

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Two novel coordination compounds, [Zn(L) 2 (OOCH) 2 ] (1) and [Zn(L) 3 (OCHO)](OCHO)]•H 2 O (2) (where L = 2-isopropylimidazole, C 6 H 10 N 2) have been prepared by reaction of 2-isopropylimidazole with zinc(II) formate at room temperature using toluene as solvent. These compounds were characterized by elemental and thermal analyses, IR, 1 HNMR and 13 CNMR spectroscopies, single crystal X-ray diffraction and DFT studies. The Zn centers in 1 and 2 adopt pseudo-tetrahedral coordination geometries. Compound 1 crystallizes in the monoclinic system P2/c space group whereas compound 2 crystallizes in the P-1 space group of the triclinic crystal system. Several types of hydrogen intra-/intermolecular interactions are observed in these materials and extend into a two-dimensional leaf like network in 1 and a two-dimensional lattice of rectilinear pillars in 2. Compounds 1 and 2 were also optimized and their frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential, natural bond orbitals were investigated using density functional theory (DFT). In fact the induced structural differences from complex 1 to complex 2 led to the reduction of the frontier molecular orbital energy gap by 1.338 eV and a decrease of the chemical hardness by 0.669 eV.

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“…Nenwa et al (2014) isolated an aqueous solution at room temperature and obtained a novel trinuclear heterothallic complex of Cr +2 [17]. Fomuta et al 2017 synthesized and characterized a new Ag +2 complex [18]. Similarly, Moriguchi, Kawata, and Jalli 2021 synthesized four new europium complexes and reported photoelectronic property applications in light-emitting devices [16].…”

Section: Introductionmentioning

confidence: 99%

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2022

ACMCR

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In this study, serval eco-friendly novel complexes were synthesized and characterized having the general formula of [CoC 46 H-60 Cl 2 N 8 O 4 ] (I), [CuC 43 H 53 Cl 2 N 7 O 3 ] (II), [CuC 4 H 16 Cl 2 N 4 O 8 ] (III) and [Cl 4 Zn, C 13 H 28 N 2 , H 2 O] (IV) using benzotriazol, Ethane-1,2-Diamine, and 4,4'-Diaminocyclohexylmethane as ligands through one-pot method using anhydrous methanol or ethanol with different metal salt (2:1 eqv) metal to ligand stoichiometry. The crystal structures of these complexes were determined by X-ray diffraction and further characterized by elemental analysis, ESI-MS, IR, NMR and UV-Vis. Single-crystal XRD studies shows that the structural diversities are mainly affected and controlled by the types of central metal ions. Single-crystal XRD studies also shows that the complexes are coordinated with the ligands through N-metal and O-metal bonds, which revealed their mononuclear geometries. The anticancer activity of these complexes showed cytotoxic effects against human tumour cell Lines A549. Among them the complex (II) showed the best activity with IC 50 values 19.92. The synthesized complexes were also applied for use as organic reaction catalysis and good results were obtained.

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Synthesis, Structural Characterization and DFT Studies of Silver(I) Complex Salt of Bis(4,5-dihydro-1<i>H</i>-benzo[g]indazole)

Cited by 6 publications

References 18 publications

Distorted octahedral cobalt(ii)–acylpyrazolone complex with a tunable lattice-strain structure – an efficient electrocatalyst for overall water splitting

Distorted octahedral cobalt(ii)–acylpyrazolone complex with a tunable lattice-strain structure – an efficient electrocatalyst for overall water splitting

Synthesis, Characterization and DFT Studies of Two Zinc(II) Complexes Based on 2-Isopropylimidazole

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