Please use this identifier to cite or link to this item:
Type: Artigo de periódico
Title: FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate
Author: Maia, JR
Lima, JA
Freire, PTC
Mendes, J
Nogueira, CES
Teixeira, AMR
de Menezes, AS
Remedios, CMR
Cardoso, LP
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.
Subject: Bis(L-histidinato)nickel(II) Monohydrate
Amino acid complexes
Vibrational study
FT-IR spectroscopy
Raman spectroscopy
DFT calculations
Country: Holanda
Editor: Elsevier Science Bv
Citation: Journal Of Molecular Structure. Elsevier Science Bv, v. 1054, n. 143, n. 149, 2013.
Rights: fechado
Identifier DOI: 10.1016/j.molstruc.2013.09.042
Date Issue: 2013
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
There are no files associated with this item.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.