ChemRN: Synthetic Inorganic Chemistry (Topic)最新文献

Synthesis and Characterization of CuO Nanocomposites Doped with Cr 3+ and Mn 2+ for Efficient Photodegradation of Organic Dyes (MB & MO) Cr - 3+和Mn - 2+掺杂纳米CuO复合材料的合成与表征

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 2020-07-01 DOI: 10.2139/ssrn.3639524

Masoud Memar

引用次数: 0

Synthesis and Structural Characterization of Fe(Ii) Complexes with Hemilabile Phosphine-Based P,O Donor Ligands: A Combined Experimental and Computational Study 半可分离膦基P,O给体Fe(Ii)配合物的合成与结构表征:实验与计算相结合的研究

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 2020-05-14 DOI: 10.2139/ssrn.3597980

Nabanita Saikia, Malabika Borah, P. Das

{"title":"Synthesis and Structural Characterization of Fe(Ii) Complexes with Hemilabile Phosphine-Based P,O Donor Ligands: A Combined Experimental and Computational Study","authors":"Nabanita Saikia, Malabika Borah, P. Das","doi":"10.2139/ssrn.3597980","DOIUrl":"https://doi.org/10.2139/ssrn.3597980","url":null,"abstract":"Iron(II) complexes of the type [FeCl 2 (P∩X) 2 ] [P∩X = o -(diphenylphosphino)benzaldehyde{PPh 2 ( o -C 6 H 4 CHO)}( 1 ) and o -(diphenylphosphino)benzoic acid {PPh 2 ( o -C 6 H 4 COOH)}( 2 )] have been synthesized by the reaction of FeCl 2 .4H 2 O with respective ligands in DMF solution under refluxing condition. The complexes were characterized by elemental analysis, ESI-mass, Fourier Transform Infrared spectra (FTIR), UV-Vis, 1 H and 31 P{ 1 H} NMR spectroscopy. From the FTIR measurements, though the structures are predicted to be trans , it is not confirmed as crystal structures of the complexes are not yet available. In order to confirm their stable structures, computational calculations were performed to provide detailed molecular-level comparison of the structures, frontier molecular orbitals, electronic, and optical properties using first-principles density functional theory (DFT) method. The gas phase calculations indeed confirm the trans -isomers to be the minimum energy geometries compared to cis -isomers, with the energy difference of 8-9.3 kcal/mol between the geometrical isomers. The natural bonding orbital calculation on trans -isomers showed that intramolecular ligand → metal charge transfer stabilizes the complexes. Further, time dependent DFT (TDDFT) calculations were employed to interpret the optical properties of the trans -isomers of the complexes. Our combined integrative approach provided consistent agreement at both experimental and theoretical levels and showed that the trans structures are the most preferred structures for the two complexes.","PeriodicalId":205853,"journal":{"name":"ChemRN: Synthetic Inorganic Chemistry (Topic)","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126481004","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

Synthesis Characterization and Magnetic Properties of Wells-Dawson Polyoxometalate Containing Stabilized Ni (Ii) Counter Ion 含稳定Ni (Ii)反离子的well - dawson多金属氧酸盐的合成、表征及磁性能

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 1900-01-01 DOI: 10.2139/ssrn.3604918

Maliha Asma, K. Latafat, Toshiyuki Misawa, Takeru Ito, A. Sokolov, M. Sher, Munib Ahmad Shafique, F. Rahman, N. Bukhari, S. A. Tirmizi

引用次数: 0

Three Cyanide-Bridged Fe II-M II (M = Fe, Co and Mn) Complexes: Synthesis, Crystal Structures and Magnetic Properties 三种氰化物桥接Fe II-M II (M = Fe, Co和Mn)配合物的合成、晶体结构和磁性能

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 1900-01-01 DOI: 10.2139/ssrn.3745847

Ying-Ying Huang, Qing-Dou Xu, Yu-ying Yang, Yang Liu, Yong He, Shengmin Hu, Xintao Wu, T. Sheng

引用次数: 0

Study of the Products of the Interaction of Cobalt(II) Acetate with 2-Iodoterephthalic Acid and 1,10-Phenanthroline 醋酸钴与2-碘对苯二甲酸和1,10-邻菲罗啉相互作用产物的研究

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 1900-01-01 DOI: 10.2139/ssrn.3662171

I. Uflyand, V. Tkachev, V. Zhinzhilo, G. Dzhardimalieva

引用次数: 0

Chiral Tricyclic 1,2,3-Triazol-3-Ylidene–Pd(II) Complexes of Cyclohexene Oxide Scaffold: Synthesis, Structure, and Characterizations 手性三环1,2,3-三唑-3-吡啶- pd (II)环氧环己烯支架配合物:合成、结构和表征

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 1900-01-01 DOI: 10.2139/ssrn.3690933

M. Gangwar, R. Butcher

{"title":"Chiral Tricyclic 1,2,3-Triazol-3-Ylidene–Pd(II) Complexes of Cyclohexene Oxide Scaffold: Synthesis, Structure, and Characterizations","authors":"M. Gangwar, R. Butcher","doi":"10.2139/ssrn.3690933","DOIUrl":"https://doi.org/10.2139/ssrn.3690933","url":null,"abstract":"We herein report the two novel well-defined palladium(II) complexes 1(b−c), of the chiral N-fused tricyclic 1,2,3-triazolium-derived mesoionic carbenes (MIC) ligand 1a. The chiral tricyclic PEPPSI type complex namely, trans-{2-methyl-(5aS,9aS)-5a,6,7,8,9,9a-hexahydro-4H-benzo[b][1,2,3]triazolo[1,5-d][1,4]oxazin-3-ylidene}PdI2(pyridine)} (1b), and the chiral tricyclic bis(tz-MIC)-palladium complex namely, {2-methyl-(5aS,9aS)-5a,6,7,8,9,9a-hexahydro-4H-benzo[b][1,2,3]triazolo[1,5-d][1,4]oxazinium-3-ylidene}2PdCl2} (1c). The chiral tricyclic (tz-MIC)PdI2(pyridine) type PEPPSI complex (1b) was obtained by direct reaction of the corresponding chiral tricyclic 1,2,3-triazolium-derived mesoionic carbenes (MIC) ligand 1a, by treatment with PdCl2 in the presence of K2CO3 as a base in pyridine in 87% yield. (Scheme 1). The chiral tricyclic 1,2,3-triazolium iodide salt (1a) was converted to its in-situ silver analogue by reaction with Ag2O and then subsequently upon treatment with (COD)PdCl2 to produce the chiral tricyclic (tz-MIC)2PdCl2 type palladium complex (1c). All these palladium complexes were isolated for the first time and structurally characterized by 1H NMR and 13C{1H}-NMR spectroscopy, FT-IR spectroscopy, mass spectrometry, elemental analysis and single crystal X-ray crystallography.","PeriodicalId":205853,"journal":{"name":"ChemRN: Synthetic Inorganic Chemistry (Topic)","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125156454","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}

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Synthesis and Characterization a Series of Complexes and Their Photocatalytic Hydrogen Production 一系列配合物的合成、表征及其光催化制氢

ChemRN: Synthetic Inorganic Chemistry (Topic) Pub Date : 1900-01-01 DOI: 10.2139/ssrn.3649025

Yan-Ju Huang, Jun Zhang

引用次数: 0