Abstract
In this work the Fourier transform infrared and the Raman spectra of
bis(L-hisidinato)nickel(II) monohydrate were recorded at room
temperature. Optimized geometry and vibrational frequencies were
obtained by means of Density Functional Theory (DFT). Experimental and
theoretical vibrational spectra were compared and a complete analysis of
the modes was done in terms of the Potential Energy Distribution (PED).
(C) 2013 Elsevier B.V. All rights reserved.
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