{"title":"一种新型炔基配体六氰酸盐杂化物的合成与晶体结构","authors":"Xingyue Wang, Chunhui Ma, Chenqi Zhao, Yanchao Zhao, Taozhu Zhan, Lihong Chen, Zicheng Xiao, Pingfan Wu","doi":"10.1007/s10870-022-00943-3","DOIUrl":null,"url":null,"abstract":"<div><p>A new hexavanadate hybrid with alkynyl ligands (DIEA)<sub>2</sub>[V<sub>6</sub>O<sub>13</sub>{(OCH<sub>2</sub>)<sub>3</sub>CNHCOC<sub>6</sub>H<sub>4</sub>C≡CH}<sub>2</sub>] was synthesized and its molecular structure has been determined by single-crystal X-ray diffraction. The compound crystallize in the orthorhombic system, space group <i>Pccn</i> with the cell parameters <i>a</i> = 15.951(2) Å, <i>b</i> = 33.240 Å, <i>c</i> = 10.5960(14) Å, <i>α</i> = <i>β</i> = <i>γ</i> = 90°, <i>V</i> = 5618.2(13) Å <sup>3</sup>. The electrostatic potential was also calculated to show the electron distribution in the polyoxoanion.</p><h3>Graphical Abstract</h3><p>\nA new hexavanadate hybrid with alkynyl ligands (DIEA)<sub>2</sub> [V<sub>6</sub>O<sub>13</sub>{(OCH<sub>2</sub>)<sub>3</sub>CNHCOC<sub>6</sub>H<sub>4</sub>C≡CH}<sub>2</sub>] was synthesized by post-functionalization. Each of the structures looks like a flabellum and both ends are straight and rigid on account of the conjugated effect in the organic ligands.</p><figure><div><div><div><picture><source><img></source></picture></div></div></div></figure></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"75 - 80"},"PeriodicalIF":0.4000,"publicationDate":"2022-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis and Crystal Structure of a New Hexavanadate Hybrid with Alkynyl Ligands\",\"authors\":\"Xingyue Wang, Chunhui Ma, Chenqi Zhao, Yanchao Zhao, Taozhu Zhan, Lihong Chen, Zicheng Xiao, Pingfan Wu\",\"doi\":\"10.1007/s10870-022-00943-3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A new hexavanadate hybrid with alkynyl ligands (DIEA)<sub>2</sub>[V<sub>6</sub>O<sub>13</sub>{(OCH<sub>2</sub>)<sub>3</sub>CNHCOC<sub>6</sub>H<sub>4</sub>C≡CH}<sub>2</sub>] was synthesized and its molecular structure has been determined by single-crystal X-ray diffraction. The compound crystallize in the orthorhombic system, space group <i>Pccn</i> with the cell parameters <i>a</i> = 15.951(2) Å, <i>b</i> = 33.240 Å, <i>c</i> = 10.5960(14) Å, <i>α</i> = <i>β</i> = <i>γ</i> = 90°, <i>V</i> = 5618.2(13) Å <sup>3</sup>. The electrostatic potential was also calculated to show the electron distribution in the polyoxoanion.</p><h3>Graphical Abstract</h3><p>\\nA new hexavanadate hybrid with alkynyl ligands (DIEA)<sub>2</sub> [V<sub>6</sub>O<sub>13</sub>{(OCH<sub>2</sub>)<sub>3</sub>CNHCOC<sub>6</sub>H<sub>4</sub>C≡CH}<sub>2</sub>] was synthesized by post-functionalization. Each of the structures looks like a flabellum and both ends are straight and rigid on account of the conjugated effect in the organic ligands.</p><figure><div><div><div><picture><source><img></source></picture></div></div></div></figure></div>\",\"PeriodicalId\":615,\"journal\":{\"name\":\"Journal of Chemical Crystallography\",\"volume\":\"53 1\",\"pages\":\"75 - 80\"},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2022-04-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Crystallography\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10870-022-00943-3\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Crystallography","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10870-022-00943-3","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
摘要
合成了一种新的炔基配体六氰酸盐杂化物(DIEA)2[V6O13{(OCH2)3CNHCOC6H4C≡CH}2]，并通过单晶x射线衍射测定了其分子结构。该化合物在正交晶系中结晶，空间群Pccn的晶胞参数为a = 15.951(2) Å， b = 33.240 Å， c = 10.5960(14) Å， α = β = γ = 90°，V = 5618.2(13) Å 3。计算了静电势，显示了多氧阴离子中的电子分布。摘要用后官能化方法合成了一种新型炔基配体六氰酸盐杂化物(DIEA)2 [V6O13{(OCH2)3CNHCOC6H4C≡CH}2]。由于有机配体的共轭效应，每一个结构看起来都像一个薄板，两端是直的和刚性的。
Synthesis and Crystal Structure of a New Hexavanadate Hybrid with Alkynyl Ligands
A new hexavanadate hybrid with alkynyl ligands (DIEA)2[V6O13{(OCH2)3CNHCOC6H4C≡CH}2] was synthesized and its molecular structure has been determined by single-crystal X-ray diffraction. The compound crystallize in the orthorhombic system, space group Pccn with the cell parameters a = 15.951(2) Å, b = 33.240 Å, c = 10.5960(14) Å, α = β = γ = 90°, V = 5618.2(13) Å 3. The electrostatic potential was also calculated to show the electron distribution in the polyoxoanion.
Graphical Abstract
A new hexavanadate hybrid with alkynyl ligands (DIEA)2 [V6O13{(OCH2)3CNHCOC6H4C≡CH}2] was synthesized by post-functionalization. Each of the structures looks like a flabellum and both ends are straight and rigid on account of the conjugated effect in the organic ligands.
期刊介绍：
Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
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