Author/Authors :
Maia، نويسنده , , J.R. and Lima Jr.، نويسنده , , J.A. and Freire، نويسنده , , P.T.C. and Mendes Filho، نويسنده , , J. and Nogueira، نويسنده , , C.E.S. and Teixeira، نويسنده , , A.M.R. and de Menezes، نويسنده , , A.S. and Remédios، نويسنده , , C.M.R. and Cardoso، نويسنده , , L.P.، نويسنده ,
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).
Keywords :
Vibrational study , FT-IR spectroscopy , Raman spectroscopy , DFT calculations , Bis(L-histidinato)nickel(II) Monohydrate , Amino acid complexes
