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Crystal Structure Theory and Applications 2018年第1期7卷 1-18页

作者： Nana Odette Ngnabeuye tayo alain djampouo Ndosiri Ndoye Bridget Tanyi Rogers Fomuta Djimassingar Golngar Tagne alain Charly Kuate Ngoune Jean Department of Chemistry University of Dschang Dschang Cameroon Department of Inorganic Chemistry University of Yaounde I Yaounde Cameroon Department of Chemistry Mongo Polytechnique University Institute (IUPM) Mongo Chad

The reaction of 2-ethylimidazole and zinc formate monohydrate in 1:2 ratio in toluene leads to the formation of bis(2-ethylimidazole)bis(formato)zinc(II)-water (1/1), [Zn(N2H8C5)2(OCHO)2]·H2O, 1 which has been characterized by several techniques, including elemental and thermal analyses, IR, 1HNMR and 13CNMR spectroscopies, single crystal X-ray diffraction and DFT studies. The results obtained show that this complex crystallizes in the orthorhombic crystal system of the Pbca space group, with cell parameters a = 14.7230(2) Å, b = 7.3880(10) Å, c = 29.0843(4) Å, α = 90°, β = 90°, γ = 90°, V = 3163.73 Å3 and Z = 8. The zinc center is bound to two molecules of 2-ethylimidazole, two formate molecules in a tetrahedral coordination geometry. One water of crystallization is present in the coordination sphere of the compound. Its molecular crystalline structure is strengthened by O/N-H…O, O-H…π, O-H…H, C-H…O, H…π, π…O and π…π interactions. The optimized structure, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential, natural bond orbitals and the Mulliken atomic charges were investigated through theoretical studies.

关键词： Zinc Complex 2-Ethylimidazole Hydrogen Bonds Thermogravimetric Analysis 1HNMR 13CNMR X-Ray Theoretical Studies

Synthesis, Rietveld Refinement and DFT Studies of Bis(4,5-dihydro-1H-benzo[g]indazole)silver(I) Hexafluorophosphate Complex Salt

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Open Journal of Inorganic Chemistry 2017年第4期7卷 102-115页

作者： Tanyi Rogers Fomuta Jean Ngoune Golngar Djimassingar tayo alain djampouo Junior Ma Ntep Tobie Matemb Jean Jacques Anguile Justin Nenwa Department of Chemistry University of Dschang Dschang Cameroon Department of Chemistry Mongo Polytechnique University Institute (IUPM) Mongo Tchad Department of Chemistry University of Sciences & Techniques of Masuku Franceville Gabon Department of Inorganic Chemistry University of Yaounde 1 Yaounde Cameroon

The new salt bis(4,5-dihydro-1H-benzo[g]indazole)silver(I) hexafluorophosphate, [Ag(N2H10C11)2]PF6, has been synthesized in methanol at ambient temperature and characterized by elemental and thermal analyses, FTIR and 1HNMR spectroscopies, Rietveld refinement from powder diffraction data and DFT studies. The salt crystallizes in the triclinic space group P-1 with the parameters: a = 7.776 ?, b = 8.676 ?, c = 9.226 ?, α = 69.27° β = 89.86°, γ = 74.50°, V = 558.02 ?3, Z = 1. In the structure, the silver center is coordinated to two nitrogen atoms from two 4,5-dihydro-1H-benzo[g]indazole ligands, forming a centrosymmetric complex cation, [Ag(N2H10C11)2]+, with a linear coordination geometry around the silver center. The hexafluorophosphate ion, , acts as counter anion. The crystal packing is governed by N-H···F and C-H···F hydrogen bonds that interconnect the ionic constituents and Ag···F and Ag···π interactions help for the stabilization of the packing. The optimized structure was obtained at B3LYP/LanL2DZ level in the gas phase. The stability and reactivity of the structure were studied using respectively HOMO-LUMO gap and electronic global quantities (ionization potential (I) and electron affinity (A)) as descriptors.

关键词： Silver Complex Salt 4 5-dihydro-1H-benzo[g]indazole 1HNMR Powder Diffraction Rietveld Refinement DFT

Syntheses and Characterization of Two Novel Copper(II) Malonate Complexes Functionalized with 3,3’-Bis(pyrazolyl)pentane and 4,4’-Trimethylenedipyridine

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Open Journal of Inorganic Chemistry 2021年第2期11卷 43-53页

作者： Alvine Loris Djoumbissie alain Clovis tayo djampouo Tanyi Rogers Fomuta Giscard Doungmo Golngar Djimassingar alain Charly Tagne Kuate Jean Ngoune Department of Chemistry University of Dschang Dschang Cameroon Institute of Inorganic Chemistry Christian-Albrechts University of Kiel Kiel Germany Department of Chemistry Mongo Polytechnique University Institute (IUPM) Mongo Chad

Two novel copper complexes (1,2) with N,O-donor ligands were synthesized by reaction of copper(II) malonates with 3,3’-bis(pyrazolyl)pentane and 4,4’-trimethylenedipyridine in methanol at moderate temperature. These compounds were characterized by elemental analysis, UV-VIS, IR spectroscopies and powder X-ray diffraction analyses. Compound (1) melts at higher temperature (202°C) than compound (2) (100°C). The IR spectra showed typical vibrations related to C=N and C=C, characteristic of pyrazolyl and pyridine ligands.

关键词： Copper Malonate 3 3’-Bis(pyrazolyl)pentane 4 4’-Trimethylenedipyridine UV-Vis IR Powder X-Ray Diffraction

Synthesis and Structural Characterization of a New Two-Dimensional Polymeric Hybrid Material {[Cu3(μ3-1,2,3-BTC)(μ2-1,2,3-BTC)(en)3(OH2)2(OH)(μ2-OH2)]2·5H2O·O}n

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Open Journal of Inorganic Chemistry 2020年第4期10卷 52-62页

作者： Alvine L. Djoumbissie Francis W. Njifack alain T. djampouo Tanyi R. Fomuta Golngar Djimassingar alain C. Tagne Kuate Jean Ngoune Department of Chemistry Faculty of Science University of Dschang Dschang Cameroon Department of Chemistry Mongo Polytechnique University Institute (IUPM) Mongo Chad

The reaction of benzene-1,2,3-tricarboxylate copper(II) trihydrate (Cu3(1,2,3-BTC)2·3H2O) and ethylenediamine (en) gave after recrystallization from methanol at room temperature violet crystalline solid of the polymeric two dimensional material {[Cu3(μ3-1,2,3-BTC)(μ2-1,2,3-BTC)(en)3(OH2)2(OH)(μ2-OH2)]2·5H2O·O}n (1) as identified by single crystal X-ray diffraction analysis. The compound was also characterized by elemental analysis, FT-IR spectroscopy, UV-vis spectroscopy, thermogravimetric analysis (TGA) and magnetic susceptibility. The molecular structure indicates crystallization in the triclinic space group P-1 with the unit cell parameters a = 12.1205(3) Å, b = 12.7026(3) Å, c = 13.9890(3) Å, α = 75.034(1)°, β = 74.957(1)°, γ = 68.415(1)°. Structural analysis also revealed that the dimeric compound is connected by Cu-O-Cu bridges and the dimer is further converted into a polymeric chain structure through bridging of one benzene-1,2,3-tricarboxylate ligand. Different coordination modes are observed at the copper atom. The Cu atom at the center is octahedral while the two other ones are pentacoordinated. Thermal analysis of the compound showe

关键词： Copper Ethylenediamine Benzene-1 2 3-Tricarboxylate Coordination Polymer Magnetism