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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Stability,Structure,and Vibrations of Metal-Doped Selenium Clusters
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Stability,Structure,and Vibrations of Metal-Doped Selenium Clusters

机译：金属掺杂硒团簇的稳定性，结构和振动

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Calcium or sodium atoms are added to selenium clusters in the reaction channel of a dual laser vaporization source to study the dependence of the product structures on the number and the valence of the metal atoms.Stabilities of product clusters are investigated by photofragmentation experiments.Several Ca_MSe_N clusters show special stabilities for compositions that can be related to bulklike cuboid structures,while no pattern of geometrical stabilities is found for Na_MSe_N clusters.Keeping a low sodium concentration in the reaction channel generates predominantly Na_2Se_N clusters.They are deposited in a nitrogen matriXand investigated by Raman spectroscopy.A low-frequency Raman band is found which is consistent with calculated frequencies of selenium chains terminated at each end by one sodium atom and bent into horseshoe shapes by an attractive interaction between the two sodium atoms.Structural models for the metal/selenium clusters are discussed which are based on the idea of an electron transfer from the metal atoms to the selenium clusters according to the metal valences.
机译：在双激光汽化源的反应通道中的硒簇中添加钙或钠原子，以研究产物结构对金属原子数和价的依赖性。通过光碎裂实验研究产物簇的稳定性.Ca_MSe_N团簇对可能与块状长方体结构有关的成分表现出特殊的稳定性，但没有发现Na_MSe_N团簇的几何稳定性模式。在反应通道中保持低钠浓度主要产生Na_2Se_N团簇，它们沉积在氮基质中并通过拉曼光谱：发现了一个低频拉曼谱带，该带与计算出的硒链的频率相一致，该硒链的两端被一个钠原子封端，并由于两个钠原子之间的吸引作用而弯曲成马蹄形。金属/硒的结构模型讨论了基于电子根据金属化合价从金属原子转移到硒簇。

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