{"title":"1,1-二苯基-2-丙基-1-醇和邻碳硼烷二氯基配体组装钌配合物的合成与表征","authors":"J. R. Hu, J. H. Wang, J. S. Liu","doi":"10.1134/S002247662505018X","DOIUrl":null,"url":null,"abstract":"<p>Two novel complexes, (<i>p</i>-cymene)Ru(<i>E</i><sub>2</sub>C<sub>2</sub>B<sub>10</sub>H<sub>9</sub>)(Ph<sub>2</sub>C(OH)CCH<sub>2</sub>), designated as <b>I</b> (<i>E</i> = S) and <b>II</b> (<i>E</i> = Se), are successfully synthesized and characterized using NMR, IR, MS, and elemental analysis techniques. X-ray structural analysis is performed on complex <b>I</b>, which crystallizes in monoclinic system, space group <i>P</i>2<sub>1</sub>/<i>c</i> with <i>a</i> = 11.6648(12) Å, <i>b</i> = 16.9404(17) Å, <i>c</i> = 15.6876(17) Å, β = 101.7490(10), C<sub>27</sub>H<sub>36</sub>B<sub>10</sub>ORuS<sub>2</sub>, <i>M</i><sub><i>r</i></sub> = 649.85,<i> V</i> = 3035.0(5) Å<sup>3</sup>, <i>D</i><sub><i>c</i></sub> = 1.422 g/cm<sup>3</sup>, <i>Z</i> = 4, <i>F</i>(000) = 1328, µ(Mo<i>K</i><sub>α</sub>) = 0.677 mm<sup>–1</sup>, <i>R</i> = 0.0505 and ω<i>R</i> = 0.0793 for 3206 observed reflections (<i>I </i>> 2σ(<i>I</i>)). Structural analysis indicates the coordination of C=C bonds, formation of C–S bonds, and B-substitution at B3 within the <i>o</i>-carborane cage, resulting in the formation of a Ru–B bond. Furthermore, the ruthenium atom coordinated to <i>p</i>-cymene complies with the 18-electron rule.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 5","pages":"1061 - 1069"},"PeriodicalIF":1.4000,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis and Characterization of Ruthenium Complexes Assembled with 1,1-Diphenyl-2-Propyn-1-Ol and o-Carborane Dichalcogenolato Ligands\",\"authors\":\"J. R. Hu, J. H. Wang, J. S. Liu\",\"doi\":\"10.1134/S002247662505018X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Two novel complexes, (<i>p</i>-cymene)Ru(<i>E</i><sub>2</sub>C<sub>2</sub>B<sub>10</sub>H<sub>9</sub>)(Ph<sub>2</sub>C(OH)CCH<sub>2</sub>), designated as <b>I</b> (<i>E</i> = S) and <b>II</b> (<i>E</i> = Se), are successfully synthesized and characterized using NMR, IR, MS, and elemental analysis techniques. X-ray structural analysis is performed on complex <b>I</b>, which crystallizes in monoclinic system, space group <i>P</i>2<sub>1</sub>/<i>c</i> with <i>a</i> = 11.6648(12) Å, <i>b</i> = 16.9404(17) Å, <i>c</i> = 15.6876(17) Å, β = 101.7490(10), C<sub>27</sub>H<sub>36</sub>B<sub>10</sub>ORuS<sub>2</sub>, <i>M</i><sub><i>r</i></sub> = 649.85,<i> V</i> = 3035.0(5) Å<sup>3</sup>, <i>D</i><sub><i>c</i></sub> = 1.422 g/cm<sup>3</sup>, <i>Z</i> = 4, <i>F</i>(000) = 1328, µ(Mo<i>K</i><sub>α</sub>) = 0.677 mm<sup>–1</sup>, <i>R</i> = 0.0505 and ω<i>R</i> = 0.0793 for 3206 observed reflections (<i>I </i>> 2σ(<i>I</i>)). Structural analysis indicates the coordination of C=C bonds, formation of C–S bonds, and B-substitution at B3 within the <i>o</i>-carborane cage, resulting in the formation of a Ru–B bond. Furthermore, the ruthenium atom coordinated to <i>p</i>-cymene complies with the 18-electron rule.</p>\",\"PeriodicalId\":668,\"journal\":{\"name\":\"Journal of Structural Chemistry\",\"volume\":\"66 5\",\"pages\":\"1061 - 1069\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2025-06-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S002247662505018X\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S002247662505018X","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
摘要
成功合成了两个新型配合物（p-花枝烃）Ru(E2C2B10H9)(Ph2C(OH)CCH2)，编号为I （E = S）和II (E = Se)，并利用核磁共振、红外、质谱和元素分析技术对其进行了表征。对单斜晶系的配合物I进行x射线结构分析，空间群P21/c， a = 11.6648（12） Å， b = 16.9404（17） Å， c = 15.6876（17） Å， β = 101.7490(10), C27H36B10ORuS2, Mr = 649.85, V = 3035.0(5) Å3, Dc = 1.422 g/cm3, Z = 4， F(000) = 1328，µ(MoKα) = 0.677 mm-1, R = 0.0505, ωR = 0.0793 （I > 2σ(I)）结构分析表明，C=C键配位，C -s键形成，o-碳硼烷笼内B3处b取代，形成Ru-B键。此外，钌原子与对花香烃配位符合18电子规则。
Synthesis and Characterization of Ruthenium Complexes Assembled with 1,1-Diphenyl-2-Propyn-1-Ol and o-Carborane Dichalcogenolato Ligands
Two novel complexes, (p-cymene)Ru(E2C2B10H9)(Ph2C(OH)CCH2), designated as I (E = S) and II (E = Se), are successfully synthesized and characterized using NMR, IR, MS, and elemental analysis techniques. X-ray structural analysis is performed on complex I, which crystallizes in monoclinic system, space group P21/c with a = 11.6648(12) Å, b = 16.9404(17) Å, c = 15.6876(17) Å, β = 101.7490(10), C27H36B10ORuS2, Mr = 649.85, V = 3035.0(5) Å3, Dc = 1.422 g/cm3, Z = 4, F(000) = 1328, µ(MoKα) = 0.677 mm–1, R = 0.0505 and ωR = 0.0793 for 3206 observed reflections (I > 2σ(I)). Structural analysis indicates the coordination of C=C bonds, formation of C–S bonds, and B-substitution at B3 within the o-carborane cage, resulting in the formation of a Ru–B bond. Furthermore, the ruthenium atom coordinated to p-cymene complies with the 18-electron rule.
期刊介绍：
Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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