Search Results - "Versiane, Otávio"
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Synthesis, structure determination, NBO analysis and vibrational/electronic spectroscopic study of Iron(II) Bis(diethyldithiocarbamate) [Fe(DDTC)2]
Published in Journal of molecular structure (05-09-2023)“…•Iron(II) Bis(diethyldithiocarbamate) was synthesized following the graphical method.•Both experimental and theoretical methods corroborated the structure of…”
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2
Histidine Determination in the Presence of Copper in Diluted Alkaline Electrolyte by Adsorptive Stripping Voltammetry at the Mercury Film Electrode
Published in Analytical letters (01-01-2008)“…A stripping method for the determination of histidine at the submicromolar concentration levels is described. The method is based on controlled adsorptive…”
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Fourier transform infrared and Raman spectra of the complex cation diethyldithiocarbamate Cr(III) Di-hydrate, [Cr(DDTC)2(OH2)2]+. UV-Vis spectrum, DFT:B3LYP/6-311G(d, p) structural determination, vibrational and natural bond orbital analysis
Published in Journal of molecular structure (15-05-2022)“…•Vibrational spectroscopy.•UV-visible spectroscopy.•Natural bond orbitals (NBO).•Structure determination. [Cr(DDTC)2(OH2)2]+. Diethyldithiocarbamate Cr(III)…”
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4
FT-IR vibrational spectrum and DFT:B3LYP/6-31G and B3LYP/6-311G structure and vibrational analysis of glycinate–guanidoacetate nickel (II) complex: [Ni(Gly)(Gaa)]
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-02-2009)“…The glycinate–guanidoacetate nickel (II) complex was synthesized and obtained as a crystalline powder. The characterization of this complex was performed by…”
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Fourier transform infrared spectrum, vibrational analysis and structural determinations of the trans-bis(glycine)nickel(II) complex by means of the RHF/6-311G and DFT:B3LYP/6-31G and 6-311G methods
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (31-12-2007)“…The trans-bis(glycine)nickel(II) complex was synthesized, and the Fourier transform infrared spectra in the regions 4000–370 cm −1 and 700–30 cm −1 were…”
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6
Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-10-2013)“…[Display omitted] •The FT-IR and Raman spectra of ATB were carried out.•Spectra interpretation have been based on Infrared and Raman second derivative spectra,…”
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7
FT-IR vibrational spectrum and DFT:B3LYP/6-31G structure and vibrational analysis of guanidinoaceticserinenickel(II) complex: [Ni(GAA)(Ser)]
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-07-2007)“…Vibrational assignment and structural determination for the guanidinoaceticserinenickel(II) complex have been made through DFT:B3LYP/6-31G calculations. A full…”
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8
FT-IR vibrational spectrum and DFT:B3LYP/6-311G structure and vibrational analysis of bis-serinenickel(II) complex: [Ni(Ser) 2]
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01-07-2007)“…The bis-serinenickel(II) complex was synthesized, and the Fourier-transforms infrared spectra in the regions 4000–370 and 700–30 cm −1 was measured. The second…”
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9
A desamidination process forming a novel guanidine derivative during the complexation between copper(II) and guanidinoacetic acid
Published in Inorganic chemistry communications (01-11-2004)“…A novel trianionic disubstituted guanidine, ( 1 N-carboxymethylguanidino)hydroxyacetic acid-C 5H 6N 3O 5), oag 3−, has been formed through a desamidination…”
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