Structural Diversity and Flexibility of MgO Gas-Phase Clusters

被引：68

作者：

Kwapien, Karolina ^{[1
]}

Sierka, Marek ^{[1
]}

Doebler, Jens ^{[1
]}

Sauer, Joachim ^{[1
]}

Haertelt, Marko ^{[2
]}

Fielicke, Andre ^{[2
]}

Meijer, Gerard ^{[2
]}

机构：

[1] Humboldt Univ, Inst Chem, Unter Linden 6, D-10099 Berlin, Germany

[2] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2011年 / 50卷 / 07期

关键词：

gas-phase clusters; genetic algorithms; magnesium; photodissociation spectroscopy; structure elucidation; AB-INITIO CALCULATIONS; (MGO)(N) CLUSTERS; MAGNESIUM-OXIDE; BASIS-SETS; SPECTROSCOPY; DENSITY; RESOLUTION; (CAO)(N); ANIONS; CAGES;

D O I：

10.1002/anie.201004617

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Working out the gas charge: Only one structure type is known for bulk MgO. In contrast, quantum chemical calculations combined with infrared multiple photon dissociation experiments demonstrate that neutral and cationic gas-phase clusters of MgO display unusual structural diversity and flexibility (see picture). © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：1716 / 1719

页数：4

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