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Effect of Changing Anion on the Crystalline Structure, Crystal Structure, Hirschfield Surface, IR and NMR Spectroscopy of Organic Salts and Hybrid Compounds: C6H4(NH3)2Cl2 (I), β-[C6H10N2]2ZnCl< 阴离子变化对有机盐类及杂化化合物C6H4(NH3)2Cl2 (I)， β-[C6H10N2]2ZnCl晶体结构、晶体结构、Hirschfield表面、IR和NMR谱的影响
无机化学期刊(英文) Pub Date : 2023-01-01 DOI: 10.4236/ojic.2023.131001
N. Hannachi, R. Elwej, T. Roisnel, F. Hlel
{"title":"Effect of Changing Anion on the Crystalline Structure, Crystal Structure, Hirschfield Surface, IR and NMR Spectroscopy of Organic Salts and Hybrid Compounds: C<sub>6</sub>H<sub>4</sub>(NH<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub> (I), <i>β</i>-[C<sub>6</sub>H<sub>10</sub>N<sub>2</sub>]<sub>2</sub>ZnCl<","authors":"N. Hannachi, R. Elwej, T. Roisnel, F. Hlel","doi":"10.4236/ojic.2023.131001","DOIUrl":"https://doi.org/10.4236/ojic.2023.131001","url":null,"abstract":"","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70662521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fixed-Bed Column Adsorption Modeling of MnO4- Ions from Acidic Aqueous Solutions on Activated Carbons Prepared with the Biomass 生物质活性炭吸附酸性水溶液中MnO4-离子的固定床柱模拟
无机化学期刊(英文) Pub Date : 2023-01-01 DOI: 10.4236/ojic.2023.132002
Charly Mve Mfoumou, F. Ngoye, Pradel Tonda-Mikiela, Mbouiti Lionel Berthy, Bouassa Mougnala Spenseur, G. R. Tchouya
{"title":"Fixed-Bed Column Adsorption Modeling of MnO<sub>4</sub><sup style=margin-left:-6px;>-</sup> Ions from Acidic Aqueous Solutions on Activated Carbons Prepared with the Biomass","authors":"Charly Mve Mfoumou, F. Ngoye, Pradel Tonda-Mikiela, Mbouiti Lionel Berthy, Bouassa Mougnala Spenseur, G. R. Tchouya","doi":"10.4236/ojic.2023.132002","DOIUrl":"https://doi.org/10.4236/ojic.2023.132002","url":null,"abstract":"","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70662536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular Modeling and Antimicrobial Screening Studies on Some 3-Aminopyridine Transition Metal Complexes 一些3-氨基吡啶过渡金属配合物的分子模拟及抗菌筛选研究
无机化学期刊(英文) Pub Date : 2022-01-01 DOI: 10.4236/ojic.2022.123003
Islam M. I. Moustafa, N. Mohamed, S. M. Ibrahim
{"title":"Molecular Modeling and Antimicrobial Screening Studies on Some 3-Aminopyridine Transition Metal Complexes","authors":"Islam M. I. Moustafa, N. Mohamed, S. M. Ibrahim","doi":"10.4236/ojic.2022.123003","DOIUrl":"https://doi.org/10.4236/ojic.2022.123003","url":null,"abstract":"Seven transition metal complexes of Mn 2+ , Ni 2+ , Co 2+ , Cu 2+ and Zn 2+ with 3-aminopyridine (3-APy) as ligand have been synthesized, characterized by different techniques and their antibacterial activities were studied. Molecular modeling calculations were performed using DMOL 3 program in materials studio package which is designed for the realization of large scale density functional theory calculation (DFT). The quantum mechanical and chemical reactivity parameters such as chemical hardness, chemical potential, electronegativity, electrophilicity index and Homo-Lumo energy gap were obtained theoretically and were used to understand the biological activity of the prepared compounds. Some complexes were tested for their in-vitro cytotoxic activity in human lung cancer cell lines (A-549 cell line), and structure-activity relationships were established. In general, the coordination to Co 2+ increased the cytotoxicity while the Ni 2+ complexes show reduced cytotoxic activity compared to the metal-free 3-aminopyridine.","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70662485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Two Cu(II)-Nitronyl Nitroxide Complexes Including Cyclic Dimer: Synthesis, Structures and Magnetic Interactions 含环二聚体的两种Cu(II)-硝基氮氧化物配合物:合成、结构和磁相互作用
无机化学期刊(英文) Pub Date : 2022-01-01 DOI: 10.4236/ojic.2022.124004
J. Chen, C. Liu, Youjuan Zhang, Qing-Lun Wang
{"title":"Two Cu(II)-Nitronyl Nitroxide Complexes Including Cyclic Dimer: Synthesis, Structures and Magnetic Interactions","authors":"J. Chen, C. Liu, Youjuan Zhang, Qing-Lun Wang","doi":"10.4236/ojic.2022.124004","DOIUrl":"https://doi.org/10.4236/ojic.2022.124004","url":null,"abstract":"","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70662497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Review of Research on Li-Ion Batteries Waste Management 锂离子电池废弃物管理研究综述
无机化学期刊(英文) Pub Date : 2022-01-01 DOI: 10.4236/ojic.2022.122002
Rokhaya Gueye, Nango Gaye, M. Balde, Adama Diédhiou, Ngoné Diouf, Seck Gorgui Awa, I. Ndoye, Y. Tine, M. Seck, D. Fall, A. Wélé, M. Diaw
{"title":"Review of Research on Li-Ion Batteries Waste Management","authors":"Rokhaya Gueye, Nango Gaye, M. Balde, Adama Diédhiou, Ngoné Diouf, Seck Gorgui Awa, I. Ndoye, Y. Tine, M. Seck, D. Fall, A. Wélé, M. Diaw","doi":"10.4236/ojic.2022.122002","DOIUrl":"https://doi.org/10.4236/ojic.2022.122002","url":null,"abstract":"","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70662449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Physicochemical and Analytical Studies of Some Monomer and Polymer Complexes Derived from Selected Aroyl Hydrazone 某些芳酰腙衍生的单体和聚合物配合物的理化分析研究
无机化学期刊(英文) Pub Date : 2022-01-01 DOI: 10.4236/ojic.2022.121001
Aymen Ahmed, M. Mostafa
{"title":"Physicochemical and Analytical Studies of Some Monomer and Polymer Complexes Derived from Selected Aroyl Hydrazone","authors":"Aymen Ahmed, M. Mostafa","doi":"10.4236/ojic.2022.121001","DOIUrl":"https://doi.org/10.4236/ojic.2022.121001","url":null,"abstract":"New solid complexes derived from the reaction of aroyl hydrazones, 2-hydroxy-1-naphthaldehyde benzene sulphonyl hydrazone (HNB), and 2-hydroxy-1-naphthaldehyde p-toluene sulphonyl hydrazone (HNT), with Co 2+ , Ni 2+ , and Cu 2+ salts have been isolated and characterized using elemental analyses, spectral (UV-vis., IR), molar conductivity and magnetic measurements. The modes of bonding as well as the stereochemistry of the isolated solid complexes were discussed. The results suggested that both HNB and HNT coor-dinated with the metal ions in a bidentate manner forming a polymeric chain in the case of HNB while monocular complexes were formed in the case of HNT. The amounts of solvent in the solid complexes were determined by TGA measurements. Also, spectral studies of HNT with Co 2+ and Fe 3+ ions in solution were carried and the ratio of complexes was determined by continuous variation, molar ratio, and slope ratio methods. Moreover, the results suggest the formation of 1:1 (M:L) for Co 2+ ions while three species with ratios of 1:1, 1:2, and 2:1 (M:L) have been observed in the case of Ni 2+ and Cu 2+ . Finally, conductance titration of HNB and HNT with Co 2+ ion elucidates the formation of two species with ratios 1:1 and 1:2 (M:L) in the case of the Co 2+ -HNB while 1:1 (M:L) belongs to the Co 2+ -HNT system.","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70662436","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparative Studies of Some Novel Cu(II) Polymeric Complexes Derived from Cyanoacetylhydrazine (CAH; L). The Role of Solvents Used on the Structure and Geometry of the Isolated Cu2+ Complexes 氰基乙酰肼（CAH；L）衍生的新型Cu（II）聚合物配合物的比较研究。溶剂对Cu2+配合物结构和几何结构的影响
无机化学期刊(英文) Pub Date : 2021-10-20 DOI: 10.4236/ojic.2021.104008
M. Mostafa
{"title":"Comparative Studies of Some Novel Cu(II) Polymeric Complexes Derived from Cyanoacetylhydrazine (CAH; L). The Role of Solvents Used on the Structure and Geometry of the Isolated Cu2+ Complexes","authors":"M. Mostafa","doi":"10.4236/ojic.2021.104008","DOIUrl":"https://doi.org/10.4236/ojic.2021.104008","url":null,"abstract":"Novel polymeric Cu2+ complexes derived from the reaction of cyanoacetylhydrazine (CAH; L) with CuCl2•2H2O in different solvents were synthesized and characterized. The isolated solid polymeric complexes were investigated using modern conventional physicochemical and spectral (IR, 1H-NMR, UV-Vis. ESR, Raman), magnetic and thermal studies. The results revealed that CAH behaves in different ways towards the coordination of the Cu2+ ion. The promotion of solvents to the cyano group was discussed on the basis of the solvent and the Cu2+ ion used. Magnetic and spectral studies suggest octahedral geometry is proposed for the Cu2+ complexes. EPR studies indicate the existence of polymeric complexes depending on the results of g-values. The results suggest that the number of copper atoms ranges from three to twelve atoms. The molecular modeling is drawn and some chemical characteristics are calculated such as chemical reactivity and energy components are investigated between the different types of the ligands.","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49345039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Synthesis, Spectroscopic, Molecular Modeling and Anti-Fungal Studies of Some Divalent Metal Complexes of 4-Hydroxyacetophenone Isonicotinoyl Hydrazone 4-羟基苯乙酮-异烟酰腙二价金属配合物的合成、光谱、分子模拟及抗真菌研究
无机化学期刊(英文) Pub Date : 2021-06-15 DOI: 10.4236/ojic.2021.113007
G. M. Toh-Boyo, R. N. Njong, E. Babette, E. Nfor
{"title":"Synthesis, Spectroscopic, Molecular Modeling and Anti-Fungal Studies of Some Divalent Metal Complexes of 4-Hydroxyacetophenone Isonicotinoyl Hydrazone","authors":"G. M. Toh-Boyo, R. N. Njong, E. Babette, E. Nfor","doi":"10.4236/ojic.2021.113007","DOIUrl":"https://doi.org/10.4236/ojic.2021.113007","url":null,"abstract":"A novel ligand N-4-hydroxyacetophenone isonicotinoyl hydrazone and its manganese(II) and nickel(II) metal complexes have been synthesized. The synthesized Schiff base and its metal complexes have been characterized by physical state determination, melting point and solubility measurements in different solvents, infrared, proton nuclear magnetic resonance, mass spectrometric and powder X-ray spectroscopic techniques. The thermal properties of the prepared compounds were obtained from TG/DTG measurements. On the basis of the analytical techniques, the ligand was found to be bidentate in nature coordinating to the metal ions through the azomethine nitrogen and carbonyl oxygen atoms leading to distorted octahedral geometries of the metal complexes which were modeled using MM2 force field. The ligand and its metal(II) complexes were evaluated for antifungal activity against Aspergillus fumigatus, Aspergillus niger, Candida albicans and Rhizopus stolonifera. The antifungal evaluation results revealed an enhanced activity upon coordination of the ligand with the metal(II) ions. The activity of the metal complex to the tested fungal strains was in the order Ni(II) > Mn(II).","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47393291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand 硫氰酸盐与3-氨基吡啶Zn（II）配合物的晶体堆积、热性能及Hirschfeld表面分析
无机化学期刊(英文) Pub Date : 2021-06-15 DOI: 10.4236/ojic.2021.113005
D. M. Yufanyi, Hubert Jean Nono, Amah Colette Benedicta Yuoh, C. D. Tabong, Wirsiy Judith, A. M. Ondoh
{"title":"Crystal Packing Studies, Thermal Properties and Hirshfeld Surface Analysis in the Zn(II) Complex of 3-Aminopyridine with Thiocyanate as Co-Ligand","authors":"D. M. Yufanyi, Hubert Jean Nono, Amah Colette Benedicta Yuoh, C. D. Tabong, Wirsiy Judith, A. M. Ondoh","doi":"10.4236/ojic.2021.113005","DOIUrl":"https://doi.org/10.4236/ojic.2021.113005","url":null,"abstract":"Reaction of zinc acetate, potassium thiocyanate and the ligand 3-ampy gave the discrete tetrahedral complex [Zn(NCS)2(3-ampy)2] in which 3-ampy chelates in a monodentate fashion through its pyridine-N atom. It was characterized by single crystal X-ray diffraction, infrared, and elemental analysis. Density Functional Theory calculations were performed in order to gain insights into the role of weak molecular interactions in the complex that influence the self-assembly process and crystal packing. X---H (X = H, C, N and S) inter-actions. S-H interactions (30.2%) were found to be the main interactions that hold the molecules in the crystal structure. Furthermore, the thermolysis of the complex was studied in order to evaluate whether it was suitable as a precursor for zinc sulphide.","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44967127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Synthesis and Crystal Structures of Two Metal-Radical Complexes 两种金属自由基配合物的合成及晶体结构
无机化学期刊(英文) Pub Date : 2021-06-15 DOI: 10.4236/ojic.2021.113006
Youjuan Zhang, Caiwen Zhang, J. Chen
{"title":"Synthesis and Crystal Structures of Two Metal-Radical Complexes","authors":"Youjuan Zhang, Caiwen Zhang, J. Chen","doi":"10.4236/ojic.2021.113006","DOIUrl":"https://doi.org/10.4236/ojic.2021.113006","url":null,"abstract":"Two new M(II)-radical complexes [M(hfac)2(IM-o-QN)] (M = Ni(1), Zn(2); IM-o-QN = 4'-quinoxalinyl-substituted imino nitroxide; hfac = hexafluoroa-cetylacetonate) have been synthesized and characterized by X-ray diffraction analysis, element analyses, IR and UV-Visible spectroscopy. X-ray analysis reveal that the structures of both complexes are similar configuration and differently spatial symmetries. The complex 1 crystallizes in the triclinic Pī space group with the respective cell parameters: a = 9.1189(18) Å, b = 9.836(2) Å, c = 18.537(4) Å, α = 75.92(3)°, β= 81.95(3)°, γ = 69.32(3)°, V = 1506.1(5) ޵, Z = 2, whereas the complex 2 is in monoclinic C2/c space group with the respective cell parameters: a = 26.996(5) Å, b = 9.5223(19) Å, c = 23.961(5) Å, α = 90.00°, β= 91.07(3)°, γ= 90.00°, V = 6158(2) ޵, Z = 8. In two new M(II)-radical complexes, the central M(II)(Ni(1) and Zn(2)) ions are coordinated by four oxygen atoms from two hfac and two nitrogen atoms from imino nitroxide radicals to form a distorted octahedron. Additionally, the optical properties and thermal analysis of the two complexes are reported.","PeriodicalId":70986,"journal":{"name":"无机化学期刊(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46453617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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