Vibrational and crystal structure analysis of a phenylenedioxydiacetic acid derivative

Computationally derived data has successfully assisted the characterisation of the Raman and infrared vibrational spectra of the phenylenedioxydiacetic acid (PDA) derivative 2,2′-[(4-nitro-1,2-phenylene)bis(oxy)]diacetate (I) in the solid state. X-ray diffraction analysis of (I), which crystallised...

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Veröffentlicht in:	Journal of molecular structure 2011-02, Vol.987 (1), p.25-33
Hauptverfasser:	Cunning, Benjamin V., Hope, Gregory A., Healy, Peter C., Brown, Christopher L.
Format:	Artikel
Sprache:	eng
Schlagworte:	Asymptotic properties Crystal packing forces and density functional theory calculations crystal structure energy Vibrational spectroscopy X-radiation X-ray diffraction
Online-Zugang:	Volltext
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