Polyanionic Selenium Fragments and Vibrations in NaMSeN Clusters

Verfasser / Beitragende:
[Melanie Schnell, C. Herwig, J. A. Becker]
Ort, Verlag, Jahr:
2004
Enthalten in:
Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics, 218/11/2004(2004-11-01), 1329-1338
Format:
Artikel (online)
ID: 378891820
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024 7 0 |a 10.1524/zpch.218.11.1329.50810  |2 doi 
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245 0 0 |a Polyanionic Selenium Fragments and Vibrations in NaMSeN Clusters  |h [Elektronische Daten]  |c [Melanie Schnell, C. Herwig, J. A. Becker] 
520 3 |a Density functional calculations on the series of clusters NaMSeN predict different polyanionic selenium fragments depending on the relative amount of sodium. Calculations for Na2SeN clusters give e.g. horseshoe shaped polyanionic selenium chains that are accompanied by two Na atoms. The geometries obtained for NaMSe6 clusters are changing from chains to Se2 and Se3 units highly dependent on the number of Na atoms. These clusters can be investigated experimentally by adding sodium atoms to selenium clusters in the reaction zone of a dual laser vaporization source and depositing them in a nitrogen matrix where they are investigated by Raman spectroscopy. An intense low frequency band between 165 and 225cm−1 is observed that can be attributed by a simple model of dynamical charge to certain vibrational modes with considerable changes of Na-Se bond lengths. The model spectra allow a quite good description of the low frequency Raman band. 
540 |a © 2004 Oldenbourg Wissenschaftsverlag GmbH 
690 7 |a Thermodynamics & statistical physics  |2 nationallicence 
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700 1 |a Becker  |D J. A.  |4 aut 
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