Alena Aslandukova*, Andrey Aslandukov, Yuqing Yin, Maxim Bykov, Valerio Cerantola, Anna Pakhomova, Natalia Dubrovinskaia and Leonid Dubrovinsky,
{"title":"高压硼酸钇oC20-YBO3和正碳酸钇hR39-Y3(CO4)2在兆巴压力下的合成","authors":"Alena Aslandukova*, Andrey Aslandukov, Yuqing Yin, Maxim Bykov, Valerio Cerantola, Anna Pakhomova, Natalia Dubrovinskaia and Leonid Dubrovinsky, ","doi":"10.1021/acs.inorgchem.4c0530810.1021/acs.inorgchem.4c05308","DOIUrl":null,"url":null,"abstract":"<p >Two novel ternary compounds, yttrium borate <i>oC</i>20-YBO<sub>3</sub> and yttrium orthocarbonate <i>hR</i>39-Y<sub>3</sub>(CO<sub>4</sub>)<sub>2</sub>, were synthesized at 90 and 120 GPa upon heating to about 3500 K in a laser-heated diamond anvil cell. Their crystal structures were solved and refined using <i>in situ</i> high-pressure synchrotron single-crystal X-ray diffraction. The crystal structure of <i>oC</i>20-YBO<sub>3</sub> features previously unobserved infinite unbranched zigzag chains of corner-sharing BO<sub>4</sub> tetrahedra. The compound <i>hR</i>39-Y<sub>3</sub>(CO<sub>4</sub>)<sub>2</sub> consists of isolated [CO<sub>4</sub>]<sup>4–</sup> orthocarbonate anions and represents the first rare-earth orthocarbonate. Density functional theory calculations reproduce the structures of the new compounds and provide further insight into their stability and physical properties. Our results enrich the chemistry of metal borates and carbonates.</p>","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"64 10","pages":"5098–5104 5098–5104"},"PeriodicalIF":4.7000,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"High-Pressure Yttrium Borate oC20-YBO3 and Yttrium Orthocarbonate hR39-Y3(CO4)2 Synthesized at Megabar Pressures\",\"authors\":\"Alena Aslandukova*, Andrey Aslandukov, Yuqing Yin, Maxim Bykov, Valerio Cerantola, Anna Pakhomova, Natalia Dubrovinskaia and Leonid Dubrovinsky, \",\"doi\":\"10.1021/acs.inorgchem.4c0530810.1021/acs.inorgchem.4c05308\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Two novel ternary compounds, yttrium borate <i>oC</i>20-YBO<sub>3</sub> and yttrium orthocarbonate <i>hR</i>39-Y<sub>3</sub>(CO<sub>4</sub>)<sub>2</sub>, were synthesized at 90 and 120 GPa upon heating to about 3500 K in a laser-heated diamond anvil cell. Their crystal structures were solved and refined using <i>in situ</i> high-pressure synchrotron single-crystal X-ray diffraction. The crystal structure of <i>oC</i>20-YBO<sub>3</sub> features previously unobserved infinite unbranched zigzag chains of corner-sharing BO<sub>4</sub> tetrahedra. The compound <i>hR</i>39-Y<sub>3</sub>(CO<sub>4</sub>)<sub>2</sub> consists of isolated [CO<sub>4</sub>]<sup>4–</sup> orthocarbonate anions and represents the first rare-earth orthocarbonate. Density functional theory calculations reproduce the structures of the new compounds and provide further insight into their stability and physical properties. Our results enrich the chemistry of metal borates and carbonates.</p>\",\"PeriodicalId\":40,\"journal\":{\"name\":\"Inorganic Chemistry\",\"volume\":\"64 10\",\"pages\":\"5098–5104 5098–5104\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2025-03-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c05308\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c05308","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
High-Pressure Yttrium Borate oC20-YBO3 and Yttrium Orthocarbonate hR39-Y3(CO4)2 Synthesized at Megabar Pressures
Two novel ternary compounds, yttrium borate oC20-YBO3 and yttrium orthocarbonate hR39-Y3(CO4)2, were synthesized at 90 and 120 GPa upon heating to about 3500 K in a laser-heated diamond anvil cell. Their crystal structures were solved and refined using in situ high-pressure synchrotron single-crystal X-ray diffraction. The crystal structure of oC20-YBO3 features previously unobserved infinite unbranched zigzag chains of corner-sharing BO4 tetrahedra. The compound hR39-Y3(CO4)2 consists of isolated [CO4]4– orthocarbonate anions and represents the first rare-earth orthocarbonate. Density functional theory calculations reproduce the structures of the new compounds and provide further insight into their stability and physical properties. Our results enrich the chemistry of metal borates and carbonates.
期刊介绍:
Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.