Abstract
The Schiff base
4-(1E)-(2-Hydroxyphenyl)methylideneamino-1,5-dimethyl-2-phenyl-1
,2-dihydro-3H-pyrazol-3-one (C18H17N3O2) is a synthetic compound with a
variety of scientific and technological applications, such as clinic,
analytic and pharmacologic. In this work FT-Raman spectrum and
FT-infrared spectrum of C18H17N3O2 were investigated at 300 K.
Vibrational wavenumber and wave vector have been predicted using Density
Functional Theory (B3LYP) calculations with the 6-31 G(d,p) basis set.
The description of the normal modes was performed by means of the
potential energy distribution. A comparison with experiment allowed us
to assign most of the normal modes of the crystal. (C) 2012 Elsevier
B.V. All rights reserved.
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