A theoretical study of P4O10: vibrational analysis, infrared and Raman spectra

The normal mode frequencies and the corresponding vibrational assignments of tetraphosphorus decaoxide (P4O10) in tetrahedral (Td) symmetry are examined theoretically and experimentally. The Gaussian 98 set of quantum chemistry codes at the HF/6-311G*, MP2/6-311G*, and DFT/B3LYP/6-311G* levels of th...

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Veröffentlicht in:	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2004-07, Vol.60 (8-9), p.1947-1955
Hauptverfasser:	Jensen, James O, Banerjee, Ajit, Zeroka, Daniel, Merrow, Clifton N, Gilliam, Sean J, Kirkby, Scott J
Format:	Artikel
Sprache:	eng
Schlagworte:	Electrons Molecular Structure Phosphorus Compounds - chemistry Spectrophotometry, Infrared Spectrum Analysis, Raman
Online-Zugang:	Volltext
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