{"title":"钒(V)配合物2-氨基-4-吡啶-2-甲基咪唑十钒酸盐水合物(C4N2H7)4(C6N2H10)V10O28·2H2O的制备、晶体结构和光谱表征","authors":"Myriam Louati, R. Ksiksi, L. Jouffret, M. Zid","doi":"10.4236/csta.2019.81001","DOIUrl":null,"url":null,"abstract":"A new decavanadate, (C4N2H7)4(C6N2H10)V10O28·2H2O, was synthesized by slow evaporation at room temperature and characterized by single crystal X-ray diffraction, IR and UV-Vis spectroscopies. The compound crystallizes in the triclinic system, P-1 space group with the cell parameters: a = 11.200(5) A, b = 12.056(9) A, c =20.511(7) A, α = 73.40(4), β = 84.67(3), γ = 63.51(5), Z = 2 and volume V = 2373.7(1) A3. The formula unit is composed of one decavanadate [V10O28]6- anion, four 2-methylimidazolium (C4N2H7)+ cations, one 2-amino-4-picolinium (C6N2H10)2+ cation and two water molecules. In the crystal, the layers of decavanadate groups, organic cations and water molecules stack up parallel to the (011) plane. The cohesion is provided by N-H···O, O-H···O hydrogen bonds and Van der Waals interactions leads to a three-dimensional structure. The absorbance spectrum measurement shows an optical band gap of 3.27 eV which allows us to conclude that this compound is a semiconductor material.","PeriodicalId":67661,"journal":{"name":"晶体结构理论与应用(英文)","volume":" ","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2019-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Preparation, Crystal Structure and Spectroscopy Characterization of Vanadium(V) Complex, 2-Amino-4-Picolinium, 2-Methylimidazolium Decavanadate Hydrate (C4N2H7)4(C6N2H10)V10O28·2H2O\",\"authors\":\"Myriam Louati, R. Ksiksi, L. Jouffret, M. Zid\",\"doi\":\"10.4236/csta.2019.81001\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A new decavanadate, (C4N2H7)4(C6N2H10)V10O28·2H2O, was synthesized by slow evaporation at room temperature and characterized by single crystal X-ray diffraction, IR and UV-Vis spectroscopies. The compound crystallizes in the triclinic system, P-1 space group with the cell parameters: a = 11.200(5) A, b = 12.056(9) A, c =20.511(7) A, α = 73.40(4), β = 84.67(3), γ = 63.51(5), Z = 2 and volume V = 2373.7(1) A3. The formula unit is composed of one decavanadate [V10O28]6- anion, four 2-methylimidazolium (C4N2H7)+ cations, one 2-amino-4-picolinium (C6N2H10)2+ cation and two water molecules. In the crystal, the layers of decavanadate groups, organic cations and water molecules stack up parallel to the (011) plane. The cohesion is provided by N-H···O, O-H···O hydrogen bonds and Van der Waals interactions leads to a three-dimensional structure. The absorbance spectrum measurement shows an optical band gap of 3.27 eV which allows us to conclude that this compound is a semiconductor material.\",\"PeriodicalId\":67661,\"journal\":{\"name\":\"晶体结构理论与应用(英文)\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-02-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"晶体结构理论与应用(英文)\",\"FirstCategoryId\":\"1089\",\"ListUrlMain\":\"https://doi.org/10.4236/csta.2019.81001\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"晶体结构理论与应用(英文)","FirstCategoryId":"1089","ListUrlMain":"https://doi.org/10.4236/csta.2019.81001","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2
摘要
采用室温慢蒸发法制备了一种新型十氰酸盐(C4N2H7)4(C6N2H10)V10O28·2H2O,并用单晶x射线衍射、红外光谱和紫外可见光谱对其进行了表征。晶胞参数为:a = 11.200(5) a, b = 12.056(9) a, c =20.511(7) a, α = 73.40(4), β = 84.67(3), γ = 63.51(5), Z =2,体积V = 2373.7(1) A3。该配方单元由1个十氰酸盐[V10O28]6-阴离子、4个2-甲基咪唑(C4N2H7)+阳离子、1个2-氨基-4-吡啶(C6N2H10)2+阳离子和2个水分子组成。在晶体中,十氰酸盐基团、有机阳离子和水分子层与(011)平面平行堆叠。内聚力由N-H··O、O- h··O氢键提供,范德华相互作用形成三维结构。吸收光谱测量显示该化合物的光学带隙为3.27 eV,这使我们可以得出结论,该化合物是半导体材料。
Preparation, Crystal Structure and Spectroscopy Characterization of Vanadium(V) Complex, 2-Amino-4-Picolinium, 2-Methylimidazolium Decavanadate Hydrate (C4N2H7)4(C6N2H10)V10O28·2H2O
A new decavanadate, (C4N2H7)4(C6N2H10)V10O28·2H2O, was synthesized by slow evaporation at room temperature and characterized by single crystal X-ray diffraction, IR and UV-Vis spectroscopies. The compound crystallizes in the triclinic system, P-1 space group with the cell parameters: a = 11.200(5) A, b = 12.056(9) A, c =20.511(7) A, α = 73.40(4), β = 84.67(3), γ = 63.51(5), Z = 2 and volume V = 2373.7(1) A3. The formula unit is composed of one decavanadate [V10O28]6- anion, four 2-methylimidazolium (C4N2H7)+ cations, one 2-amino-4-picolinium (C6N2H10)2+ cation and two water molecules. In the crystal, the layers of decavanadate groups, organic cations and water molecules stack up parallel to the (011) plane. The cohesion is provided by N-H···O, O-H···O hydrogen bonds and Van der Waals interactions leads to a three-dimensional structure. The absorbance spectrum measurement shows an optical band gap of 3.27 eV which allows us to conclude that this compound is a semiconductor material.