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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >ScMO(BO3) (M = Ca and Cd): new Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges
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ScMO(BO3) (M = Ca and Cd): new Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges

机译：SCMO（BO3）（M = CA和CD）：基于新的SC基氧气物，具有有趣的边缘共享三明治类似的链条和UV截止边缘

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摘要

Two new isostructural rare-earth oxyborates ScMO(BO3) (M = Ca and Cd) with a three-dimensional (3D) cationic framework and parallel arranged [BO3] triangles have been synthesized by the flux method. In the 3D cationic framework, an interesting sandwich-like basic building unit (BBU) is constructed by two 1(infinity)[Ca(1) O-4](6-) chains and two 1(infinity)[Sc(1) O-4](5-) chains. ScMO(BO3) melt incongruently, which shows that title compounds can be grown by the flux method. The UV cut-off edges for ScCaO(BO3) and ScCdO(BO3) are 230 and 249 nm, respectively. In addition, the first-principles calculations are performed to gain further insights into the relationship between the microscopic electronic structures and associated optical properties.
机译：通过助焊法合成了具有三维（3D）阳离子框架和平行排列的两个新的IsoStrontuctuctucture Noxborate Scmo（Bo3）（M = Ca和Cd），并通过助焊法合成了平行排列的[BO3]三角形。 在3D阳离子框架中，一个有趣的三明治基本建筑单元（BBU）由两种（无限）[Ca（1）O-4]（6-）链和两个1（无限）构成[Sc（1） O-4]（5-）链。 Scmo（Bo3）不一起熔化，这表明可以通过助焊剂方法种植标题化合物。 SCCAO（BO3）和SCCDO（BO3）的UV截止边缘分别为230和249nm。 另外，执行第一原理计算以进一步了解微观电子结构与相关光学性质之间的关系。

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    Ma Ruru; Xu Dongdong; Yang Yun; Su Xin; Lei Binghua; Yang Zhihua; Pan Shilie;

  • 作者单位

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

    Chinese Acad Sci Xinjiang Tech Inst Phys &

    Chem Key Lab Funct Mat &

    Devices Special Environm Xinjiang Key Lab Elect Informat Mat &

    Devices 40-1 South Beijing Rd Urumqi 830011 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;无机化学;
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