{"title":"含邻碳硼烷-1,2-二硫酯配体和1-苯基-2-丙基-1-醇的半夹心钌配合物的合成、结构和机理","authors":"J.-R. Hu, S.-Q. Zhao, J.-H. Wang, S.-Q. Sun, C.-P. Miao","doi":"10.26902/jsc_id119203","DOIUrl":null,"url":null,"abstract":"A novel complex (p-cymene)Ru(S2C2B10H9)(PhCH=CCH2OCH(Ph)C≡CH)×CH2Cl2 based on the ortho-carborane-1,2-dithiolate ligand and 1-phenyl-2-propyn-1-ol has been synthesized successfully and characterized by IR, NMR, MS, elemental analysis and single-crystal X-ray diffraction. The complex crystallizes in monoclinic system, space group P21/n with：a = 10.221(4)Å，b = 14.912(6)Å，c = 24.182(10)Å，α = 90.00º，β = 99.096(6)°，γ = 90.00º, C31H40B10Cl2ORuS2, Mr = 772.82, V = 3639(3) Å3, Dc = 1.410 g/cm3, Z = 4, F(000) = 1576, µ(MoKα) = 0.719mm-1, R = 0.0600 and ωR = 0.1561 for 5463 observed reflections (I >2σ(I)). Structural analysis shows that there are the coordination of C=C bond, the formation of C–S bond, and metal-induced B–H activation with the formation of Ru–B bond.","PeriodicalId":24042,"journal":{"name":"Журнал структурной химии","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"SYNTHESIS, STRUCTURE, AND MECHANISM OF HALF-SANDWICH RUTHENIUM COMPLEX CONTAINING ORTHO-CARBORANE-1,2-DITHIOLATE LIGAND AND 1-PHENYL-2-PROPYN-1-OL\",\"authors\":\"J.-R. Hu, S.-Q. Zhao, J.-H. Wang, S.-Q. Sun, C.-P. Miao\",\"doi\":\"10.26902/jsc_id119203\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A novel complex (p-cymene)Ru(S2C2B10H9)(PhCH=CCH2OCH(Ph)C≡CH)×CH2Cl2 based on the ortho-carborane-1,2-dithiolate ligand and 1-phenyl-2-propyn-1-ol has been synthesized successfully and characterized by IR, NMR, MS, elemental analysis and single-crystal X-ray diffraction. The complex crystallizes in monoclinic system, space group P21/n with：a = 10.221(4)Å，b = 14.912(6)Å，c = 24.182(10)Å，α = 90.00º，β = 99.096(6)°，γ = 90.00º, C31H40B10Cl2ORuS2, Mr = 772.82, V = 3639(3) Å3, Dc = 1.410 g/cm3, Z = 4, F(000) = 1576, µ(MoKα) = 0.719mm-1, R = 0.0600 and ωR = 0.1561 for 5463 observed reflections (I >2σ(I)). Structural analysis shows that there are the coordination of C=C bond, the formation of C–S bond, and metal-induced B–H activation with the formation of Ru–B bond.\",\"PeriodicalId\":24042,\"journal\":{\"name\":\"Журнал структурной химии\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Журнал структурной химии\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.26902/jsc_id119203\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Журнал структурной химии","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.26902/jsc_id119203","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
以邻碳硼烷-1,2-二硫酯配体和1-苯基-2-丙基-1-醇为基础，成功合成了新型配合物Ru(S2C2B10H9)(PhCH=CCH2OCH(Ph)C≡CH)×CH2Cl2，并通过IR、NMR、MS、元素分析和单晶x射线衍射对其进行了表征。该配合物在单斜晶系中结晶，空间群P21/n为:a = 10.221(4)Å，b = 14.912(6)Å，c = 24.182(10)Å，α = 90.00º，β = 99.096(6)°，γ = 90.00º，C31H40B10Cl2ORuS2, Mr = 772.82, V = 3639(3) Å3, Dc = 1.410 g/cm3, Z = 4, F(000) = 1576，µ(MoKα) = 0.719mm-1, R = 0.0600， ωR = 0.1561 (I >2σ(I))。结构分析表明，存在C=C键配位，形成C - s键，金属诱导的B-H活化与Ru-B键的形成。
SYNTHESIS, STRUCTURE, AND MECHANISM OF HALF-SANDWICH RUTHENIUM COMPLEX CONTAINING ORTHO-CARBORANE-1,2-DITHIOLATE LIGAND AND 1-PHENYL-2-PROPYN-1-OL
A novel complex (p-cymene)Ru(S2C2B10H9)(PhCH=CCH2OCH(Ph)C≡CH)×CH2Cl2 based on the ortho-carborane-1,2-dithiolate ligand and 1-phenyl-2-propyn-1-ol has been synthesized successfully and characterized by IR, NMR, MS, elemental analysis and single-crystal X-ray diffraction. The complex crystallizes in monoclinic system, space group P21/n with：a = 10.221(4)Å，b = 14.912(6)Å，c = 24.182(10)Å，α = 90.00º，β = 99.096(6)°，γ = 90.00º, C31H40B10Cl2ORuS2, Mr = 772.82, V = 3639(3) Å3, Dc = 1.410 g/cm3, Z = 4, F(000) = 1576, µ(MoKα) = 0.719mm-1, R = 0.0600 and ωR = 0.1561 for 5463 observed reflections (I >2σ(I)). Structural analysis shows that there are the coordination of C=C bond, the formation of C–S bond, and metal-induced B–H activation with the formation of Ru–B bond.
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