Structure and vibrations of BenOn (n=3-10) clusters

The structure and harmonic vibrations of Be(n)O(n) (n=3-10) clusters have been investigated using density functional theory. All structures are found to be cumulenic D(nh) rings (equal bonds, alternating angles), with one intense out of plane mode and three infrared-active degenerate modes, of which...

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Veröffentlicht in:	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2007-06, Vol.67 (2), p.350-354
Hauptverfasser:	Qu, Yuhui, Zhang, Youzhong
Format:	Artikel
Sprache:	eng
Schlagworte:	Beryllium - chemistry Mathematical Computing Molecular Structure Polymers - chemistry Spectrum Analysis Vibration
Online-Zugang:	Volltext
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