%0 Journal Article %1 WOS:000327921100020 %A Maia, J R %A Jr., J A Lima %A Freire, P T C %A Filho, J Mendes %A Nogueira, C E S %A Teixeira, A M R %A de Menezes, A S %A Remedios, C M R %A Cardoso, L P %C PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS %D 2013 %I ELSEVIER SCIENCE BV %J JOURNAL OF MOLECULAR STRUCTURE %K Amino DFT FT-IR Monohydrate; Raman Vibrational acid calculations} complexes; spectroscopy; study; {Bis(L-histidinato)nickel(II) %P 143-149 %R 10.1016/j.molstruc.2013.09.042 %T FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate %V 1054 %X 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.

@article{WOS:000327921100020, 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.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, author = {Maia, J R and Jr., J A Lima and Freire, P T C and Filho, J Mendes and Nogueira, C E S and Teixeira, A M R and de Menezes, A S and Remedios, C M R and Cardoso, L P}, biburl = {https://www.bibsonomy.org/bibtex/2da4db124be8855e27248ac792ca9239e/ppgfis_ufc_br}, doi = {10.1016/j.molstruc.2013.09.042}, interhash = {de2f0ed35c850beaa9a2e1ad5cbee662}, intrahash = {da4db124be8855e27248ac792ca9239e}, issn = {0022-2860}, journal = {JOURNAL OF MOLECULAR STRUCTURE}, keywords = {Amino DFT FT-IR Monohydrate; Raman Vibrational acid calculations} complexes; spectroscopy; study; {Bis(L-histidinato)nickel(II)}, pages = {143-149}, publisher = {ELSEVIER SCIENCE BV}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate}, tppubtype = {article}, volume = 1054, year = 2013 }