Ruslan Galiev, Sofya Borisovna Artemkina, Vladislav Komarov, Maxim R. Ryzhikov, Svetlana Kozlova, Vitalii Anatolievich Kuznetsov, Ekaterina D. Grayfer, Vladimir E. Fedorov
{"title":"钒 O 型中心复合物 [V4OSe8I5]∞ 中的扩展链:合成与结构","authors":"Ruslan Galiev, Sofya Borisovna Artemkina, Vladislav Komarov, Maxim R. Ryzhikov, Svetlana Kozlova, Vitalii Anatolievich Kuznetsov, Ekaterina D. Grayfer, Vladimir E. Fedorov","doi":"10.1039/d4dt02758b","DOIUrl":null,"url":null,"abstract":"O-centered tetranuclear vanadium selenoiodide [V4OSe8I5]∞ (1) was synthesized by an ampoule method from the elements with addition of water. Its X-ray crystal structure (space group C2/c, a = 21.146(2) Å, b = 5.8953(5) Å, c = 18.735(1) Å, β = 126.421(2)°, V = 1879.4(3) Å3, T = 150 К, Z = 4) is a packing of chains built from O-centered tetranuclear [V4(μ4-O)(μ-Se2)4(μ4-I)2/2I4] fragments. In the O-centered fragment, vanadium atoms form a distorted tetrahedron around an oxygen atom, V atoms are bridged by four μ2-(Se2)2– and two I– ligands. The latter iodide ligands bridge the neighboring fragments, thus forming a chain [V4(μ4-O)(μ-Se2)4(μ4-I)2/2I4]∞. The synthesis of the chain [V4OSe8I5]∞ takes place at the temperature of 290°С, while at lower temperatures (220-250°С) molecular compounds [V4OSe8I6]·X form. The direct ‘cluster to chain’ transformation is also observed and discussed in this work. Electrical resistance of the [V4OSe8I5]∞ polycrystalline pressed sample shows that the compound 1 is a narrow gap semiconductor, which is in agreement with the DFT calculations.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"242 1","pages":""},"PeriodicalIF":3.5000,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Extended chains in Vanadium O-centered complex [V4OSe8I5]∞: synthesis and structure\",\"authors\":\"Ruslan Galiev, Sofya Borisovna Artemkina, Vladislav Komarov, Maxim R. Ryzhikov, Svetlana Kozlova, Vitalii Anatolievich Kuznetsov, Ekaterina D. Grayfer, Vladimir E. Fedorov\",\"doi\":\"10.1039/d4dt02758b\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"O-centered tetranuclear vanadium selenoiodide [V4OSe8I5]∞ (1) was synthesized by an ampoule method from the elements with addition of water. Its X-ray crystal structure (space group C2/c, a = 21.146(2) Å, b = 5.8953(5) Å, c = 18.735(1) Å, β = 126.421(2)°, V = 1879.4(3) Å3, T = 150 К, Z = 4) is a packing of chains built from O-centered tetranuclear [V4(μ4-O)(μ-Se2)4(μ4-I)2/2I4] fragments. In the O-centered fragment, vanadium atoms form a distorted tetrahedron around an oxygen atom, V atoms are bridged by four μ2-(Se2)2– and two I– ligands. The latter iodide ligands bridge the neighboring fragments, thus forming a chain [V4(μ4-O)(μ-Se2)4(μ4-I)2/2I4]∞. The synthesis of the chain [V4OSe8I5]∞ takes place at the temperature of 290°С, while at lower temperatures (220-250°С) molecular compounds [V4OSe8I6]·X form. The direct ‘cluster to chain’ transformation is also observed and discussed in this work. Electrical resistance of the [V4OSe8I5]∞ polycrystalline pressed sample shows that the compound 1 is a narrow gap semiconductor, which is in agreement with the DFT calculations.\",\"PeriodicalId\":71,\"journal\":{\"name\":\"Dalton Transactions\",\"volume\":\"242 1\",\"pages\":\"\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2024-12-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Dalton Transactions\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1039/d4dt02758b\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Dalton Transactions","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d4dt02758b","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Extended chains in Vanadium O-centered complex [V4OSe8I5]∞: synthesis and structure
O-centered tetranuclear vanadium selenoiodide [V4OSe8I5]∞ (1) was synthesized by an ampoule method from the elements with addition of water. Its X-ray crystal structure (space group C2/c, a = 21.146(2) Å, b = 5.8953(5) Å, c = 18.735(1) Å, β = 126.421(2)°, V = 1879.4(3) Å3, T = 150 К, Z = 4) is a packing of chains built from O-centered tetranuclear [V4(μ4-O)(μ-Se2)4(μ4-I)2/2I4] fragments. In the O-centered fragment, vanadium atoms form a distorted tetrahedron around an oxygen atom, V atoms are bridged by four μ2-(Se2)2– and two I– ligands. The latter iodide ligands bridge the neighboring fragments, thus forming a chain [V4(μ4-O)(μ-Se2)4(μ4-I)2/2I4]∞. The synthesis of the chain [V4OSe8I5]∞ takes place at the temperature of 290°С, while at lower temperatures (220-250°С) molecular compounds [V4OSe8I6]·X form. The direct ‘cluster to chain’ transformation is also observed and discussed in this work. Electrical resistance of the [V4OSe8I5]∞ polycrystalline pressed sample shows that the compound 1 is a narrow gap semiconductor, which is in agreement with the DFT calculations.
期刊介绍:
Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.