Small tin cluster anions: Transition from quasisphericalto prolate structures

Esther Oger; Rebecca Kelting; Patrick Weis; Anne Lechtken; Detlef Schooss; Nathan R. M. Crawford; Reinhart Ahlrichs; ManfredM. Kappes

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Small tin cluster anions: Transition from quasisphericalto prolate structures

机译：小锡簇阴离子：从准球形到长圆形结构的过渡

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The structures and energetics of small tin cluster Sn_nˉanions up ton=15were determined by acombination of density-functional theory and three different experimental methods: Ion mobilityspectrometry, trapped ion electron diffraction, and collision induced dissociation. We find compact,quasispherical structures up to n=12. Sn_(12)ˉ is a slightly distorted hollow icosahedron while Sn_(13)ˉtoSn_(15)ˉhave prolate structures, consisting of merged, hollow, in part incomplete, deltahedral subunits:Sn_(13)ˉ consists of a face-sharing pentagonal bipyramid and tricapped trigonal bipyramid, Sn_(14)ˉcomprises a face-sharing dicapped trigonal prism and capped square-antiprism, and Sn_(15)ˉconsistsof two face-sharing tricapped trigonal prisms.

机译：通过密度泛函理论和三种不同的实验方法，结合离子迁移谱法，俘获离子电子衍射法和碰撞诱导解离法，确定了吨数小于等于15的小锡簇Sn_nˉanions的结构和能量。我们发现紧凑的准球形结构高达n = 12。 Sn_（12）ˉ是稍微扭曲的空心二十面体，而Sn_（13）ˉtoSn_（15）ˉ具有扁长结构，由合并的，空心的，部分不完整的六面体亚基组成：Sn_（13）ˉ由面共享的五边形双锥体组成Sn_（14）ˉ包括一个共享面部的三棱锥棱镜和加盖正方形反棱镜，Sn_（15）ˉ包括两个共享的面部共享的三棱锥棱镜。

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《The Journal of Chemical Physics》 |2009年第12期|共10页
作者
Esther Oger; Rebecca Kelting; Patrick Weis; Anne Lechtken; Detlef Schooss; Nathan R. M. Crawford; Reinhart Ahlrichs; ManfredM. Kappes;
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正文语种 eng
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关键词
tin; anions; Transition;

机译：锡;阴离子;过渡;

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1. Small tin cluster anions: Transition from quasisphericalto prolate structures [J] . Esther Oger, Rebecca Kelting, Patrick Weis, The Journal of Chemical Physics . 2009,第12期

机译：小锡簇阴离子：从准球形到长圆形结构的过渡
2. Syntheses, structures and magnetic properties of two unprecedented hybrid compounds constructed from open Wells-Dawson anions and high-nuclear transition metal clusters [J] . Guo J., Zhang D., Chen L., Dalton transactions: An international journal of inorganic chemistry . 2013,第23期

机译：由开放的Wells-Dawson阴离子和高核过渡金属簇构成的两种前所未有的杂化化合物的合成，结构和磁性
3. Syntheses, structures and magnetic properties of two unprecedented hybrid compounds constructed from open Wells-Dawson anions and high-nuclear transition metal clusters [J] . Guo J., Zhang D., Chen L., Dalton transactions: An international journal of inorganic chemistry . 2013,第23期

机译：由开放的Wells-Dawson阴离子和高核过渡金属簇构成的两种前所未有的杂化化合物的合成，结构和磁性
4. Structural transition in the sequential oxidation of iridium cluster anions revealed by ion mobility measurements [C] . Ryohei TOMIHARA, Toshiaki NAGATA, Jenna W. J. WU 日本化学会春季年会講演予稿集 . 2018

机译：离子迁移率测量显示的铱簇阴离子顺序氧化中的结构转变
5. Photoelectron spectroscopic studies on the electronic structures of transition metal clusters and transition metal oxide clusters. [D] . Wu, Hongbin. 1997

机译：过渡金属簇和过渡金属氧化物簇的电子结构的光电子能谱研究。
6. Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M=Si Ge Sn) Anion Clusters [O] . Yi-Rong Liu, Teng Huang, Yan-Bo Gai, -1

机译：原子团簇结构的三维分配：一个Au8M（M = SiGeSn）阴离子团簇的例子
7. Measuring the Three-Dimensional Structure of Galaxy Clusters. II. Are clusters of galaxies oblate or prolate? [O] . Sereno, M, De Filippis, E, Longo, G, 2006

机译：测量银河星团的三维结构。二。星系团是扁长形还是扁长形？
8. Hueckel Model for Small Metal Clusters. 3. Anion Structures and HMO (Hueckel Molecular Orbital) Electron Affinities [R] . Lindsay, D. M., Chu, L., Wang, Y., 1987

机译：Hueckel小金属团簇模型。 3.阴离子结构和HmO（Hueckel分子轨道）电子亲和力

Small tin cluster anions: Transition from quasisphericalto prolate structures

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