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Russian Journal of Coordination Chemistry最新文献

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Synthesis and Cytoprotective Properties of La(III), Ce(III) Complexes Possessing 2,6-Di-tert-butylphenol Moiety 2,6-二叔丁基酚配合物La(III), Ce（III）的合成及细胞保护性能
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-22 DOI: 10.1134/S1070328424601298
E. A. Nikitin, A. A. Moiseeva, M. V. Svishcheva, S. D. Koldman, V. A. Koldman, S. A. Tsymbal, V. Yu. Tyurin, A. B. Alto, A. A. Shtil, E. R. Milaeva
{"title":"Synthesis and Cytoprotective Properties of La(III), Ce(III) Complexes Possessing 2,6-Di-tert-butylphenol Moiety","authors":"E. A. Nikitin,&nbsp;A. A. Moiseeva,&nbsp;M. V. Svishcheva,&nbsp;S. D. Koldman,&nbsp;V. A. Koldman,&nbsp;S. A. Tsymbal,&nbsp;V. Yu. Tyurin,&nbsp;A. B. Alto,&nbsp;A. A. Shtil,&nbsp;E. R. Milaeva","doi":"10.1134/S1070328424601298","DOIUrl":"10.1134/S1070328424601298","url":null,"abstract":"<p>Novel complexes of lanthanum and cerium possessing antioxidant 2,6-di-<i>tert</i>-butylphenol moiety have been synthesized and characterized using NMR, IR spectroscopy, thermogravimetry and elemental analysis. Their redox properties have been investigated using cyclic voltammetry. Antioxidant activity has been evaluated in a series of model reactions in vitro. The affinity of the compounds for single electron transfer has been estimated in the CUPRAC test, while their radical scavenging capacity has been monitored in the DPPH test and their interaction with the superoxide radical anion has been investigated in the NBT test. It has been demonstrated that both complexes exhibit extraordinary antioxidant activity far surpassing that of known standards. The cerium complex appears to be 20 times more effective at scavenging superoxide radical anions than its lanthanum counterpart, which may be due to the unique +4 oxidation state of cerium. Biological activity has also been estimated in numerous in vitro assays. The ability of the complexes to inhibit lipoxygenase LOX-1B has been observed in a corresponding assay, showing mild inhibitory activity for both compounds. Cytotoxicity was evaluated using the common MTT assay, and the cytoprotective properties of the compounds were investigated using clonogenic analysis. Both compounds were found to be non-toxic at operating concentrations, and the cerium complex showed cytoprotective activity at radiation doses of about 2 Gy. These findings suggest that the synthesized complexes have the potential to be effective antioxidants and low-toxic cytoprotectors.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 11","pages":"969 - 977"},"PeriodicalIF":1.1,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural and Electronic Analysis of Sulfonamide Coordination with Platinum: A Density Functional Theory Study 磺胺与铂配位的结构和电子分析：密度泛函理论研究
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-22 DOI: 10.1134/S1070328424601109
Á. B. Cruz, A. K. dos Santos Pereira, D. H. Pereira
{"title":"Structural and Electronic Analysis of Sulfonamide Coordination with Platinum: A Density Functional Theory Study","authors":"Á. B. Cruz,&nbsp;A. K. dos Santos Pereira,&nbsp;D. H. Pereira","doi":"10.1134/S1070328424601109","DOIUrl":"10.1134/S1070328424601109","url":null,"abstract":"<p>Metallopharmaceuticals are compounds that contain metals and are designed for therapeutic purposes. They can be used as anticancer, antimicrobial or anti-inflammatory agents, as can sulfonamides and their complexes, which consist of a set of organic molecules containing the sulfonamide functional group (SO<sub>2</sub>NH) and were pioneered as synthetic drugs with antibacterial activity. In this context, density functional theory was used to investigate possible descriptors for coordination and structural properties and stereoelectronic effects the of sulfonamides with Platinum. Some analyzes were carried out, including the analysis of the frontier molecular orbitals, the molecular electrostatic potential, the reactivity indices, and the evaluation of the structural and topological properties. Through analysis of the molecular electrostatic potential and frontier orbitals, it was agreed that the best region for platinum coordination is the nitrogen present in the functional amine group. The study of structural parameters prevented evaluating the behavior of sulfonamides before and after complexation with platinum, in which there was an increase in N–H and N–C bonds and a reduction in S=O and S–C bonds in the DMSO ligand, which could generate distortions in the structure of sulfonamide ligands. Based on topological properties, it was found that non-complexed sulfonamides (ligands) have stronger bonds (N–H and N–C) than in complexes. S=O and S–C bonds were stronger in complexes compared to DMSO isolated and the results obtained for the Pt–S, Pt–N, Pt–Cl and Pt–I bonds showed their partially covalent characters.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 11","pages":"1008 - 1028"},"PeriodicalIF":1.1,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fe(II), Zn(II), and Ni(II) Complexation of N-Substituted Esters of L-Amino Acids with Heterocyclic Carboxylic Acids as a Way to Prepare Aqueous-Soluble Forms Capable of Inhibiting the Reproduction of the Current Influenza A Strain 铁（II），锌（II），和镍（II）络合的n -取代酯的l -氨基酸与杂环羧酸作为一种方法制备水溶性形式能够抑制当前甲型流感病毒株的繁殖
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-22 DOI: 10.1134/S1070328424601250
T. M. Garaev, I. I. Yudin, N. V. Breslav, T. V. Grebennikova, V. V. Avdeeva, L. V. Goeva, A. V. Golubev, S. E. Nikiforova, E. A. Malinina, N. T. Kuznetsov
{"title":"Fe(II), Zn(II), and Ni(II) Complexation of N-Substituted Esters of L-Amino Acids with Heterocyclic Carboxylic Acids as a Way to Prepare Aqueous-Soluble Forms Capable of Inhibiting the Reproduction of the Current Influenza A Strain","authors":"T. M. Garaev,&nbsp;I. I. Yudin,&nbsp;N. V. Breslav,&nbsp;T. V. Grebennikova,&nbsp;V. V. Avdeeva,&nbsp;L. V. Goeva,&nbsp;A. V. Golubev,&nbsp;S. E. Nikiforova,&nbsp;E. A. Malinina,&nbsp;N. T. Kuznetsov","doi":"10.1134/S1070328424601250","DOIUrl":"10.1134/S1070328424601250","url":null,"abstract":"<p>A series of N-substituted esters of L-amino acids with various heterocyclic and aromatic carboxylic acids were synthesized. To increase the water solubility of the synthesized compounds, they were used as organic ligands in iron(II), zinc(II), and nickel(II) complexation. The antiviral properties of the resulting aqueous solutions were tested against the influenza virus A/IIV-Orenburg/83/2012(H1N1)pdm09 in vitro. It was shown that complexation with iron(II) was the most successful in achieving a high level of viral reproduction suppression compared to nickel and zinc complexes.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 11","pages":"1037 - 1042"},"PeriodicalIF":1.1,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and Сrystal Structures of Nickel(II) Complexes Based on Tripodal Tetradentate Ligand 基于三足四齿配体的镍（II）配合物的合成及Сrystal结构
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-22 DOI: 10.1134/S107032842460089X
C. Q. Shen, J. N. Wang, Jin Liu, J. R. Liu, L. Y. Liu, Q. X. Ma
{"title":"Synthesis and Сrystal Structures of Nickel(II) Complexes Based on Tripodal Tetradentate Ligand","authors":"C. Q. Shen,&nbsp;J. N. Wang,&nbsp;Jin Liu,&nbsp;J. R. Liu,&nbsp;L. Y. Liu,&nbsp;Q. X. Ma","doi":"10.1134/S107032842460089X","DOIUrl":"10.1134/S107032842460089X","url":null,"abstract":"<p>Two novel nickel-based complexes [Ni(H<sub>2</sub>O)LCl]Cl (<b>Ι</b>) and [(Ni<sub>2</sub>L<sub>2</sub>Cl<sub>2</sub>)](NO<sub>3</sub>)<sub>2</sub> (<b>ΙΙ</b>) were synthesized with the tripodal tetradentate ligand (tris((1-methyl-1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)methyl)amine, L). Two complexes show different nuclearity and coordination environment of nickel atoms: complex <b>Ι</b> is assembled from two mononuclear T-shaped building units, forming a binuclear complex through intermolecular π–π interactions; the building unit of complex <b>ΙΙ</b> resembles complex <b>Ι</b>, but it leads to a diverse centrosymmetric binuclear complex due to the two bridging chlorine atoms. The crystal structures of the two complexes were determined by single-crystal X-ray diffraction (CCDC nos. 2363616 (<b>Ι</b>) and 2363615 (<b>ΙΙ</b>)).</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 11","pages":"1001 - 1007"},"PeriodicalIF":1.1,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Compounds of s-Metals with Spin-Labeled Nitrophenol s-金属与自旋标记硝基酚的化合物
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-08 DOI: 10.1134/S1070328424600487
O. V. Kuznetsova, G. V. Romanenko, P. A. Chernavin, G. A. Letyagin, A. S. Bogomyakov
{"title":"Compounds of s-Metals with Spin-Labeled Nitrophenol","authors":"O. V. Kuznetsova,&nbsp;G. V. Romanenko,&nbsp;P. A. Chernavin,&nbsp;G. A. Letyagin,&nbsp;A. S. Bogomyakov","doi":"10.1134/S1070328424600487","DOIUrl":"10.1134/S1070328424600487","url":null,"abstract":"<p>A series of paramagnetic salts of <i>s</i>-elements (Li, Na, K, Rb, Cs) with deprotonated nitroxide radical, 2-(2-hydroxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide (L), were synthesized and isolated as crystals. According to X-ray diffraction data, these compounds are polymers of different dimensionality (CCDC nos. 2342497–2342506). As indicated by the results of quantum chemical calculations and magnetic measurements, weak antiferromagnetic exchange interactions predominate in the paramagnetic salts, with the interaction energy decreasing with increasing radius of the alkali metal ion.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 9","pages":"721 - 733"},"PeriodicalIF":1.1,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stabilization of an Aqueous Solution of a Liquid Micro Fertilizer Containing Trilon B as a Chelating Agent. Structure of the Molecular Crystal of Sodium Carbamide Ethylenediaminetetraacetate Hydrate NaH3L1·(H2N)2CO·H2O 含万亿B螯合剂的液体微肥料水溶液的稳定性研究。尿素乙二胺四乙酸钠水合物NaH3L1·（H2N）2CO·H2O的分子晶体结构
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-08 DOI: 10.1134/S1070328424600608
V. V. Semenov, N. V. Zolotareva, B. I. Petrov, N. M. Lazarev, E. V. Baranov
{"title":"Stabilization of an Aqueous Solution of a Liquid Micro Fertilizer Containing Trilon B as a Chelating Agent. Structure of the Molecular Crystal of Sodium Carbamide Ethylenediaminetetraacetate Hydrate NaH3L1·(H2N)2CO·H2O","authors":"V. V. Semenov,&nbsp;N. V. Zolotareva,&nbsp;B. I. Petrov,&nbsp;N. M. Lazarev,&nbsp;E. V. Baranov","doi":"10.1134/S1070328424600608","DOIUrl":"10.1134/S1070328424600608","url":null,"abstract":"<p>Chemical analysis methods were used to identify the causes for precipitation and fouling with a gray-green deposit of a vessel for the storage of liquid micro fertilizer consisting of ammonium heptamolybdate, potassium chloride, ammonium vanadate, boric acid, chromium trichloride, sodium selenate, and Trilon B as a chelating ligand. The precipitate represented the crystalline 1 : 1 complex of Trilon B with carbamide NaH<sub>3</sub>L<sup>1</sup>·(H<sub>2</sub>N)<sub>2</sub>CO·H<sub>2</sub>O (H<sub>4</sub>L<sup>1</sup> = ethylenediaminetetraacetic acid). The deposit on the vessel bottom and wall was formed upon transformation of the molybdenum complex Na<sub>4</sub>(MoO<sub>3</sub>)<sub>2</sub>L<sup>1</sup>·8H<sub>2</sub>O into insoluble coordination polymer in an acid medium. Neutralization of the solution to pH 6–7 and a decrease in the concentration of Trilon B gave a violet micro fertilizer solution that was stable during storage. The molecular structure of the NaH<sub>3</sub>L<sup>1</sup>·(H<sub>2</sub>N)<sub>2</sub>CO·H<sub>2</sub>O crystal was determined.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 10","pages":"817 - 826"},"PeriodicalIF":1.1,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Characteristic Features of the Synthesis of 2,1,3-Benzothiadiazole-Substituted 1,3-Iminophosphine and Platinum Complex of This Compound 2,1,3-苯并噻唑-取代1,3-亚氨基膦及其铂配合物的合成特征
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-08 DOI: 10.1134/S1070328424600360
R. M. Khisamov, S. N. Konchenko, T. S. Sukhikh
{"title":"Characteristic Features of the Synthesis of 2,1,3-Benzothiadiazole-Substituted 1,3-Iminophosphine and Platinum Complex of This Compound","authors":"R. M. Khisamov,&nbsp;S. N. Konchenko,&nbsp;T. S. Sukhikh","doi":"10.1134/S1070328424600360","DOIUrl":"10.1134/S1070328424600360","url":null,"abstract":"<p>In an attempt to synthesize a new iminomethylphosphine, <sup><i>t</i></sup>BuC(Ph<sub>2</sub>P)=N-Btd (Btd = 2,1,3-benzothiadiazole) by a three-step procedure including (1) NH<sub>2</sub>-Btd + <sup><i>t</i></sup>BuC(=O)Cl → <sup><i>t</i></sup>BuC(=O)NH-Btd, (2) <sup><i>t</i></sup>BuC(=O)NH-Btd + SOCl<sub>2</sub> → <sup><i>t</i></sup>BuC(Cl)=N-Btd, and (3) <sup><i>t</i></sup>BuC(Cl)=N-Btd + Ph<sub>2</sub>PSiMe<sub>3</sub> → <sup><i>t</i></sup>BuC(Ph<sub>2</sub>P)=N-Btd, it was found that the second step is accompanied by the chlorination of the carbocycle in the benzothiadiazole moiety. The reaction of the imidoyl chloride <sup><i>t</i></sup>BuC(Cl)=N-(7-Cl-Btd) formed in this reaction with Ph<sub>2</sub>PSiMe<sub>3</sub> gave 1,3-iminomethylphosphine <sup><i>t</i></sup>BuC(Ph<sub>2</sub>P)=N-(7-Cl-Btd) (PC=N). The by-products formed in this step include 1,3-aminomethylphosphine oxide <sup><i>t</i></sup>BuC{Ph<sub>2</sub>P(O)}NH-(7-Cl-Btd) (POCN) and (Ph<sub>2</sub>PO<sub><i>x</i></sub>)<sub>2</sub>, resulting from partial oxidation and hydrolysis. The reactions of PC=N and POCN with [Pt(COD)Cl<sub>2</sub>] (COD = 1.3-cyclooctadiene) were studied. In the case of PC=N, the reaction affords the [Pt(PC=N)<sub>2</sub>Cl<sub>2</sub>] complex. In the latter case, cleavage of the P–C bond in POCN takes place, and [PtCl<sub>2</sub>(Ph<sub>2</sub>POH)<sub>2</sub>](POCN) and [Pt(CH<sub>3</sub>CN){<sup><i>t</i></sup>BuC-NH-(7-Cl-Btd)}Cl] are isolated from the reaction mixture. The structures of the new compounds were established by single-crystal X-ray diffraction (CCDC nos 2335150 (<sup><i>t</i></sup>BuC(Cl)N-(7-Cl-Btd)), 2335152 (POCN·Et<sub>2</sub>O), 2335149 (Ph<sub>2</sub>PO<sub><i>x</i></sub>)<sub>2</sub>, 2335153 ([Pt(PC=N)<sub>2</sub>Cl<sub>2</sub>]), 2335154 ([PtCl<sub>2</sub>(Ph<sub>2</sub>POH)<sub>2</sub>](POCN)), and 2335151 ([Pt(CH<sub>3</sub>CN)(<sup><i>t</i></sup>BuC-NH-(7-Cl-Bbtd))Cl]).</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 9","pages":"705 - 714"},"PeriodicalIF":1.1,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
3,6-Dipyridyl-1,2,4,5-tetrazine in the Synthesis of Zinc and Cadmium Metal-Organic Frameworks with Anilate-Type Ligands 3,6-二吡啶-1,2,4,5-四嗪在含苯甲酸型配体的锌和镉金属有机骨架合成中的应用
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-08 DOI: 10.1134/S1070328424700726
O. Yu. Trofimova, D. S. Kolevatov, N. O. Druzhkov, A. V. Maleeva, I. A. Yakushev, P. V. Dorovatovskii, A. V. Piskunov
{"title":"3,6-Dipyridyl-1,2,4,5-tetrazine in the Synthesis of Zinc and Cadmium Metal-Organic Frameworks with Anilate-Type Ligands","authors":"O. Yu. Trofimova,&nbsp;D. S. Kolevatov,&nbsp;N. O. Druzhkov,&nbsp;A. V. Maleeva,&nbsp;I. A. Yakushev,&nbsp;P. V. Dorovatovskii,&nbsp;A. V. Piskunov","doi":"10.1134/S1070328424700726","DOIUrl":"10.1134/S1070328424700726","url":null,"abstract":"<p>New heteroleptic metal-organic frameworks (MOF) of zinc (3D MOF) and cadmium (2D MOF) are prepared by the two-stage synthesis: [Zn(pQ)(DPT)]·2DMF (<b>I</b>) and [Cd<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>-(pQ)(DPT)<sub>3</sub>]·2DMF·2MeOH (<b>II</b>), where pQ is the 2,5-dihydroxy-3,6-di-<i>tert</i>-butyl-<i>para-</i>benzoquinone dianion, DPT is 3,6-di(pyridin-4-yl)-1,2,4,5-tetrazine, and DMF is <i>N</i>,<i>N</i>-dimethylformamide (DMF). The structures of the compounds are studied by XRD (CIF files CCDC nos. 2332754 (<b>I</b>) and 2332755 (<b>II</b>)). The thermal stability of the MOF is studied by thermogravimetry.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 9","pages":"636 - 645"},"PeriodicalIF":1.1,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanism of the Formation of trans- and cis-Isomers of the Bis(chelate) Pd(II) and Pt(II) Complexes Based on (N,O(S,Se))-Bidentate Azomethines: A Quantum Chemical Study 基于（N，O(S,Se)）双齿亚甲胺的双（螯合）Pd（II）和Pt（II）配合物的反式和顺式异构体形成机制：量子化学研究
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-08 DOI: 10.1134/S107032842460058X
N. N. Kharabayev, D. V. Steglenko, V. I. Minkin
{"title":"Mechanism of the Formation of trans- and cis-Isomers of the Bis(chelate) Pd(II) and Pt(II) Complexes Based on (N,O(S,Se))-Bidentate Azomethines: A Quantum Chemical Study","authors":"N. N. Kharabayev,&nbsp;D. V. Steglenko,&nbsp;V. I. Minkin","doi":"10.1134/S107032842460058X","DOIUrl":"10.1134/S107032842460058X","url":null,"abstract":"<p>The molecular structures and relative energies of <i>trans-</i> and <i>cis-</i>isomers of bis(chelate) complexes of Pd(II) and Pt(II) salicylal-, thiosalicylal-, and selenosalicylaldiiminates are calculated using the density functional theory. The role of the kinetic factor in the formation of the <i>trans-</i> and <i>cis-</i>isomers of the PdL<sub>2</sub> and PtL<sub>2</sub> complexes is studied in the framework of the model of the step-by-step formation of the bis(ligand) metal complexes ML<sub>2</sub> (M<sup>++</sup> + (L)<sup>–</sup> → (ML)<sup>+</sup>, (ML)<sup>+</sup> + (L)<sup>–</sup>→ ML<sub>2</sub>). The competition of the <i>trans-</i> and <i>cis-</i>isomers of the PdL<sub>2</sub> and PtL<sub>2</sub> bis(chelate) azomethine complexes with the coordination nodes MN<sub>2</sub>O<sub>2</sub>, MN<sub>2</sub>S<sub>2</sub>, and MN<sub>2</sub>Se<sub>2</sub> is shown to be determined by both the energy preference of one of possible configurations and activation barriers of the isomerization of the products formed in the first step of the interaction of the initial reagents.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"50 10","pages":"802 - 808"},"PeriodicalIF":1.1,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142790350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adducts of Sterically Hindered Tellurium Catecholate with N-Methylpyrrolidone 位阻儿茶酚酸碲与n -甲基吡咯烷酮的加合物
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2024-12-08 DOI: 10.1134/S1070328424600530
P. A. Petrov, E. A. Filippova, T. S. Sukhikh
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