Russian Journal of Coordination Chemistry最新文献

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Influence of the Steric Factor on the Structure of Indium(III) Iodide Complexes Based on Substituted o-Iminobenzoquinones 位阻因子对取代邻亚胺苯醌类碘化铟配合物结构的影响
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600780
I. N. Meshcheryakova, N. O. Druzhkov, T. N. Kocherova, R. V. Rumyantcev, M. V. Arsenyev, N. M. Khamaletdinova, A. V. Piskunov
{"title":"Influence of the Steric Factor on the Structure of Indium(III) Iodide Complexes Based on Substituted o-Iminobenzoquinones","authors":"I. N. Meshcheryakova,&nbsp;N. O. Druzhkov,&nbsp;T. N. Kocherova,&nbsp;R. V. Rumyantcev,&nbsp;M. V. Arsenyev,&nbsp;N. M. Khamaletdinova,&nbsp;A. V. Piskunov","doi":"10.1134/S1070328425600780","DOIUrl":"10.1134/S1070328425600780","url":null,"abstract":"<p>Based on a series of substituted <i>o</i>-iminobenzoquinones (6-((2,6-di-<i>iso</i>-propylphenyl)imino)-2,4-bis(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one (L<sup>1</sup>), 4-(<i>tert</i>-butyl)-6-((2,6-di-<i>iso</i>-propylphenyl)imino)-3-methoxycyclohexa-2,4-dien-1-one (L<sup>2</sup>), and 6-((2,6-di-<i>iso</i>-propylphenyl)imino)-3-methoxy-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one (L<sup>3</sup>)), indium(III) iodide complexes were synthesized containing a redox-active ligand in the neutral form. The <i>o</i>-iminobenzoquinone L<sup>1</sup> was synthesized for the first time. It was found that the structure of the obtained complexes depends on the degree of shielding of the carbonyl oxygen atom in the starting <i>o</i>-iminobenzoquinone. The sterically hindered L<sup>1</sup> forms a 1 : 1 adduct with InI<sub>3</sub> (complex (L<sup>1</sup>)InI<sub>3</sub> (<b>I</b>)). The absence of a substituent at position 2 of the <i>o</i>-iminobenzoquinone ring promotes the formation of bisligand ionic derivatives {[(L<sup>2</sup>)<sub>2</sub>InI<sub>2</sub>]InI<sub>4</sub>} (<b>II</b>) and {[(L<sup>3</sup>)<sub>2</sub>InI<sub>2</sub>]InI<sub>4</sub>} (<b>III</b>). The molecular structure of L<sup>1</sup> and complexes <b>I</b>·0.5 toluene, <b>II</b>·toluene·0.5 hexane was established by X-ray diffraction analysis (CCDC nos. 2440874 (L<sup>1</sup>), 2440875 (<b>I</b>·0.5 toluene), 2440876 (<b>II</b>·toluene·0.5 hexane)). The optical and electrochemical properties of the starting <i>o</i>-iminobenzoquinones and their indium(III) complexes were studied. It was shown that complexation significantly enhances the oxidative properties of L<sup>1</sup>, L<sup>2</sup>, and L<sup>3</sup>.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"402 - 413"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090287","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
Rhenium(I) Carbonyl Isonitrile Complex Based on Menthol-Modified Phenanthroline: Synthesis and Luminescence Properties 基于薄荷醇修饰邻菲罗啉的羰基异腈铼配合物的合成及其发光性能
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600524
M. P. Davydova, A. M. Agafontsev, V. N. Yudin, M. I. Rakhmanova, A. V. Artem’ev
{"title":"Rhenium(I) Carbonyl Isonitrile Complex Based on Menthol-Modified Phenanthroline: Synthesis and Luminescence Properties","authors":"M. P. Davydova,&nbsp;A. M. Agafontsev,&nbsp;V. N. Yudin,&nbsp;M. I. Rakhmanova,&nbsp;A. V. Artem’ev","doi":"10.1134/S1070328425600524","DOIUrl":"10.1134/S1070328425600524","url":null,"abstract":"<p>The carbonyl isonitrile complex [Re(CO)<sub>3</sub>(L)(<i>m</i>-XylylNC)]OTf (<i>m</i>-XylylNC is 2,6-dimethylphenyl isocyanide) based on the 1,10-phenanthroline ligand (L) containing the menthol fragment (MtO<sup>–</sup>) in position 2 is synthesized. In the cationic moiety of the complex, the Re(I) atom has a distorted octahedral environment formed by <i>N</i>,<i>N</i>'-chelate ligand L and one isonitrile and three CO ligands. At ambient temperature the synthesized compound exhibits bright green phosphorescence in the solid state and in the solution with quantum yields of 15 and 10%, respectively.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"414 - 419"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090293","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, Structure, and Optical Properties of Cyclometalated Iridium(III) Complexes with 2-Arylbenzimidazoles and Pyrazino[2,3-f][1,10]phenanthroline 环金属化铱(III)与2-芳基苯并咪唑和吡嗪[2,3-f][1,10]菲罗啉配合物的合成、结构和光学性质
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600573
E. A. Sholina, S. I. Bezzubov
{"title":"Synthesis, Structure, and Optical Properties of Cyclometalated Iridium(III) Complexes with 2-Arylbenzimidazoles and Pyrazino[2,3-f][1,10]phenanthroline","authors":"E. A. Sholina,&nbsp;S. I. Bezzubov","doi":"10.1134/S1070328425600573","DOIUrl":"10.1134/S1070328425600573","url":null,"abstract":"<p>Two new iridium(III) complexes with benzimidazole ligands differing in the size of the aromatic system and an auxiliary N-donor ligand with an extended conjugated system were synthesized and studied by structural and spectroscopic methods. A comparison of the results of crystal packing analysis with the data of electronic absorption spectroscopy, diffuse reflectance spectroscopy, and luminescence spectroscopy shows that intermolecular π–π interactions between the benzimidazole ligands have little effect on the optical characteristics of the complexes. Both compounds exhibit light absorption in the 250–550 nm range (ε = 58 000–1000 M<sup>–1</sup> cm<sup>–1</sup>) in solution and in the solid state (<i>E</i><sub>g</sub> = 2.14–2.16 eV) and emit in the orange region (λ<sub>max</sub> = 558–585 nm), with the maxima of solid-state emission systematically red-shifted by approximately 25 nm compared to emission in solution. The results of this work provide a better understanding of the extent to which crystal packing affects the optical properties of iridium(III) complexes and will be used in further development of crystal engineering approaches for designing iridium-based luminescent compounds in the long-wavelength region.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"455 - 463"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090289","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
Spin State of the pH-Sensitive Cobalt(II) Complex with the Bis(pyrazol-3-yl)pyridine-Based Ligand ph敏感性钴(II)配合物与双(吡唑-3-基)吡啶基配体的自旋态
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600743
E. S. Safiullina, I. A. Nikovskiy, Yu. V. Nelyubina
{"title":"Spin State of the pH-Sensitive Cobalt(II) Complex with the Bis(pyrazol-3-yl)pyridine-Based Ligand","authors":"E. S. Safiullina,&nbsp;I. A. Nikovskiy,&nbsp;Yu. V. Nelyubina","doi":"10.1134/S1070328425600743","DOIUrl":"10.1134/S1070328425600743","url":null,"abstract":"<p>New cobalt(II) complex [Co(L)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub> is synthesized by the reaction of 2,6-bis(pyrazol-3-yl)pyridine (L) containing capable of deprotonating hydroxy groups with cobalt(II) perchlorate hexahydrate in deuterated methanol in a tube for NMR spectroscopy. A possibility of the new complex to undergo in situ reversible deprotonation under the action of 1,8-diazabicyclo[5.4.0]undec-7-ene is demonstrated. As found by the approach based on an analysis of changing chemical shifts in the <sup>1</sup>H NMR spectra with temperature, the synthesized complex exists in the high-spin state both before and after complete deprotonation in a temperature range of 200–325 K. The X-ray diffraction (XRD) data of the completely deprotonated complex [Co(L-2H)<sub>2</sub>](DBU+H)<sub>2</sub> (CIF file CCDC no. 2448321) indicate that the high-spin state of the complex is retained in the crystal as well.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"531 - 538"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090323","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
Calcium Complexes with the Bulky Tris((2-N-piperidinomethyl)phenyl)methoxide Ligand. Synthesis and Catalytic Activity in the Dearomatization of N-Heterocycles 与大体积三((2- n -哌啶甲基)苯基)甲氧基配体的钙配合物。n -杂环脱芳化反应的合成及其催化活性
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S107032842560069X
A. N. Selikhov, Yu. V. Nelyubina, A. A. Trifonov
{"title":"Calcium Complexes with the Bulky Tris((2-N-piperidinomethyl)phenyl)methoxide Ligand. Synthesis and Catalytic Activity in the Dearomatization of N-Heterocycles","authors":"A. N. Selikhov,&nbsp;Yu. V. Nelyubina,&nbsp;A. A. Trifonov","doi":"10.1134/S107032842560069X","DOIUrl":"10.1134/S107032842560069X","url":null,"abstract":"<p>The reaction of equimolar amounts of tris((2-<i>N</i>-piperidinomethyl)phenyl)methanol (2‑C<sub>5</sub>H<sub>10</sub>NCH<sub>2</sub>-<i>o-</i>C<sub>6</sub>H<sub>4</sub>)<sub>3</sub>COH and [(Me<sub>3</sub>Si)<sub>2</sub>N]<sub>2</sub>Ca(THF)<sub>2</sub> (toluene, 23<sup>○</sup>C) resulted in the synthesis of mixed-ligand calcium alkoxide-amide complex [(2-C<sub>5</sub>H<sub>10</sub>NCH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>3</sub>CO]CaN(SiMe<sub>3</sub>)<sub>2</sub> (<b>I</b>) in 70% yield. According to X-ray diffraction data, the monoanionic alkoxide ligand in <b>I</b> is coordinated to the metal in the κ<sup>3</sup>-O,N,N-mode. Complex <b>I</b> catalyzes the addition of PhSiH<sub>3</sub> to annulated N-containing heterocycles: quinoline, 4-methylquinoline, 6-methylquinoline, and isoquinoline. The reactions are chemo- and regioselective and proceed over periods of 24 to 120 h. The reaction of <b>I</b> with PhSiH<sub>3</sub> (molar ratio of 1 : 2) gives the bis(alkoxide) complex [κ<sup>2</sup>-O,N-(2-C<sub>5</sub>H<sub>10</sub>NCH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>3</sub>CO]<sub>2</sub>Ca (<b>II</b>) and CaH<sub>2</sub> as a result of symmetrization of the intermediate calcium alkoxy hydride. In the crystalline state, complex <b>II</b> has a non-linear structure, with the OCa(1)O angle being 112.65(4)° and only one of the piperidine moieties in each ligand being involved in the coordination to the metal ion. The molecular structure of complexes <b>I</b> and <b>II</b> was determined using X-ray diffraction (CCDC nos. 2443979 (<b>I</b>), 2443980 (<b>II</b>)).</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"522 - 530"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090358","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 Structure of Iron(II) Complexes with 1-Methyl-2-pyridin-2-yl-1H- and 1-Methyl-2-phenyliminomethyl-1H-benzimidazoles and Boron Cluster Anions [BnHn]2– (n = 10, 12) 1-甲基-2-吡啶-2-基- 1h -和1-甲基-2-苯基-甲基- 1h -苯并咪唑与硼簇阴离子[BnHn]2 - (n = 10,12)配合物的合成与结构
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600482
V. V. Avdeeva, A. S. Kubasov, S. E. Nikiforova, O. N. Belousova, E. A. Malinina, N. T. Kuznetsov
{"title":"Synthesis and Structure of Iron(II) Complexes with 1-Methyl-2-pyridin-2-yl-1H- and 1-Methyl-2-phenyliminomethyl-1H-benzimidazoles and Boron Cluster Anions [BnHn]2– (n = 10, 12)","authors":"V. V. Avdeeva,&nbsp;A. S. Kubasov,&nbsp;S. E. Nikiforova,&nbsp;O. N. Belousova,&nbsp;E. A. Malinina,&nbsp;N. T. Kuznetsov","doi":"10.1134/S1070328425600482","DOIUrl":"10.1134/S1070328425600482","url":null,"abstract":"<p>The study addresses the complex formation reactions between iron(II) and benzimidazole (L) derivatives (L<sup>1</sup> = C<sub>13</sub>N<sub>3</sub>H<sub>11</sub>, L<sup>2</sup> = C<sub>15</sub>N<sub>3</sub>H<sub>13</sub>) in the presence of boron cluster anion salts [B<sub><i>n</i></sub>H<sub><i>n</i></sub>]<sup>2–</sup> (<i>n</i> = 10, 12). The prepared complexes [FeL<sub>3</sub>][B<sub><i>n</i></sub>H<sub><i>n</i></sub>] were characterized by elemental analysis and IR spectroscopy. The structure of [<span>({text{FeL}}_{{text{3}}}^{{text{1}}})</span>][B<sub>10</sub>H<sub>10</sub>] was established by single crystal X-ray diffraction (CCDC no. 2432134). The distorted octahedral environment of the Fe atom is formed by the imidazole and pyridine nitrogen atoms of the three ligand molecules. In the crystal, the <span>({{{text{[FeL}}_{{text{3}}}^{{text{1}}}{text{]}}}^{{{text{2 + }}}}})</span> complex has a meridional configuration. The Fe–N bond lengths for the imidazole nitrogen atoms are in the 1.954(8)–1.980(6) Å range, while for the pyridine nitrogen atoms, this range is 1.977(7)–2.011(8) Å.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"539 - 545"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090292","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, Structure, and Optical and Electrochemical Properties of a Chromophoric Cyclometalated Iridium(III) Complex 一种显色环金属化铱(III)配合物的合成、结构、光学和电化学性质
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600561
D. E. Smirnov, S. I. Bezzubov
{"title":"Synthesis, Structure, and Optical and Electrochemical Properties of a Chromophoric Cyclometalated Iridium(III) Complex","authors":"D. E. Smirnov,&nbsp;S. I. Bezzubov","doi":"10.1134/S1070328425600561","DOIUrl":"10.1134/S1070328425600561","url":null,"abstract":"<p>A new N-donor ligand, methyl 4-(1-methyl-1<i>H</i>-pyrimidin-2-yl)nicotinate, and an octahedral cationic iridium(III) complex based on it (<b>I</b>) have been synthesized. 1-Benzyl-2-phenyl[2,3]naphthimidazole was used as the cyclometalated ligand, and <span>({text{PF}}_{6}^{ - })</span> serves as the counterion. Compound <b>I</b> was characterized by <sup>1</sup>H, <sup>13</sup>C, <sup>19</sup>F, <sup>31</sup>P, <sup>1</sup>H,<sup>1</sup>H–COSY, and <sup>1</sup>H,<sup>1</sup>H–NOESY NMR spectroscopy, high-resolution mass spectrometry, and X-ray diffraction analysis. Due to the coordination of ligands with extended conjugated systems around the metal ion, the target complex absorbs light up to 700 nm (ε ~ 1000 M<sup>–1</sup> cm<sup>–1</sup>), which accounts for its intense coloration. Complex <b>I</b> exhibits reversible electrochemical behavior in the positive potential range with <i>E</i><sub>1/2</sub> = 0.58 V vs. <span>({{E}_{{{{{text{F}}{{{text{c}}}^{ + }}} mathord{left/ {vphantom {{{text{F}}{{{text{c}}}^{ + }}} {{text{Fc}}}}} right. kern-0em} {{text{Fc}}}}}}})</span>. Based on its key characteristics, the obtained compound surpasses most iridium analogs and appears promising for further evaluation in photovoltaic devices.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"514 - 521"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090357","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
Mononuclear Diphenyltin(IV) Complexes with Salicylaldimine Schiff Bases: Synthesis, Structures, and Electrochemical Properties 水杨醛二胺席夫碱单核二苯基锡配合物:合成、结构和电化学性质
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600639
P. G. Shangin, V. A. Klok, I. V. Krylova, M. E. Minyaev, E. V. Tretyakov, M. A. Syroeshkin, V. M. Pechennikov, M. P. Egorov, E. N. Nikolaevskaya
{"title":"Mononuclear Diphenyltin(IV) Complexes with Salicylaldimine Schiff Bases: Synthesis, Structures, and Electrochemical Properties","authors":"P. G. Shangin,&nbsp;V. A. Klok,&nbsp;I. V. Krylova,&nbsp;M. E. Minyaev,&nbsp;E. V. Tretyakov,&nbsp;M. A. Syroeshkin,&nbsp;V. M. Pechennikov,&nbsp;M. P. Egorov,&nbsp;E. N. Nikolaevskaya","doi":"10.1134/S1070328425600639","DOIUrl":"10.1134/S1070328425600639","url":null,"abstract":"<p>New mononuclear tin(IV) complexes are synthesized by the condensation of diphenyltin oxide Ph<sub>2</sub>SnO with a number of Schiff bases containing the hydrazone fragment. The structures of the complexes are confirmed by <sup>1</sup>H, <sup>13</sup>C, and <sup>119</sup>Sn NMR spectroscopy and X-ray diffraction (XRD) (CIF files CCDC nos. 2443096 (<b>IV</b>) and 2443095 (<b>V</b>)). The electronic and redox properties of complexes <b>I</b>–<b>V</b> are studied using UV spectroscopy and cyclic voltammetry, and the energy bandgap is estimated. The electrochemical oxidation and reduction of complexes <b>I</b>, <b>II</b>, <b>IV</b>, and <b>V</b> are irreversible and accompanied by further chemical transformations. Unlike them, the electroreduction of complex <b>III</b> with the pincer ligand leads to the formation of stable radical anion species.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"389 - 401"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090356","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
Local Atomic Structure of Co(II), Ni(II), and Cu(II) Metal Chelates Based on 1-Phenyl-3-methyl-4-formyl-5-pyrazolone and 1-Aminobenzimidazole Derivatives 基于1-苯基-3-甲基-4-甲酰基-5-吡唑酮和1-氨基苯并咪唑衍生物的Co(II)、Ni(II)和Cu(II)金属螯合物的局部原子结构
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600676
A. A. Shiryaeva, V. G. Vlasenko, A. S. Burlov, T. A. Kuz’menko, V. V. Chesnokov, A. I. Uraev, A. L. Trigub
{"title":"Local Atomic Structure of Co(II), Ni(II), and Cu(II) Metal Chelates Based on 1-Phenyl-3-methyl-4-formyl-5-pyrazolone and 1-Aminobenzimidazole Derivatives","authors":"A. A. Shiryaeva,&nbsp;V. G. Vlasenko,&nbsp;A. S. Burlov,&nbsp;T. A. Kuz’menko,&nbsp;V. V. Chesnokov,&nbsp;A. I. Uraev,&nbsp;A. L. Trigub","doi":"10.1134/S1070328425600676","DOIUrl":"10.1134/S1070328425600676","url":null,"abstract":"<p>A series of new Co(II), Ni(II), and Cu(II) metal chelates based on 1-phenyl-3-methyl-4-formyl-5-pyrazolone and 1-aminobenzimidazole derivatives was obtained. The composition and spectral properties were studied by elemental analysis, <sup>1</sup>H NMR spectroscopy (for HL), and IR spectroscopy. The parameters of the local atomic environment of the metal ions in these complexes were determined by X-ray absorption spectroscopy. The experimental structural data were confirmed by calculations of the optimized complex structures using density functional theory. The important role of additional donor centers (S, Se) and substituents at the imine nitrogen atom in the aminobenzimidazole fragment of the ligands in the geometry of the coordination site of the complexes was demonstrated.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"488 - 499"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090447","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
Metallation of Ketazines: Reaction of Tetralone Azine with Methyllithium 氯他嗪的金属化:四酮嗪与甲基锂的反应
IF 1.1 3区 化学
Russian Journal of Coordination Chemistry Pub Date : 2025-09-19 DOI: 10.1134/S1070328425600317
V. V. Sushev, N. V. Zolotareva, M. D. Grishin, R. V. Rumyantcev, G. K. Fukin, A. N. Kornev
{"title":"Metallation of Ketazines: Reaction of Tetralone Azine with Methyllithium","authors":"V. V. Sushev,&nbsp;N. V. Zolotareva,&nbsp;M. D. Grishin,&nbsp;R. V. Rumyantcev,&nbsp;G. K. Fukin,&nbsp;A. N. Kornev","doi":"10.1134/S1070328425600317","DOIUrl":"10.1134/S1070328425600317","url":null,"abstract":"<p>The reaction of tetralone azine with methyllithium in tetrahydrofuran releases 1 mol of CH<sub>4</sub> and yields the lithium salt of enamine <b>I</b>, which crystallizes as a dimer in which lithium atoms bridge the <i>sp</i><sup>3</sup>- and <i>sp</i><sup>2</sup>-hybridized nitrogen atoms of two ligands, forming a six-membered LiNNLiNN metallacycle (CCDC no. 2426300). Analysis of the electron density topology using the noncovalent interaction index and source function revealed that each lithium atom in complex <b>I</b> interacts with the NNCC fragment of the ligand. Charge distribution analysis in the ligand anion showed that position C(2) is the most favorable site for electrophilic attack. DFT calculations demonstrated that phosphorylation of deprotonated tetralone azine with PCl<sub>3</sub> is thermodynamically more favorable by 12.6 kcal/mol than phosphorylation at the nitrogen atom.</p>","PeriodicalId":759,"journal":{"name":"Russian Journal of Coordination Chemistry","volume":"51 6","pages":"546 - 554"},"PeriodicalIF":1.1,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145090359","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}
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