Výsledky vyhledávání

Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC) 2 ] complex

Autor: Claudio A. Téllez S, M.A. Mondragón, Airton Abrahão Martin, G. Müller Lima, João Lucas Rangel, Anilton C. Costa, Glaucio B. Ferreira, O. Versiane

Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 169:95-107

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared and Raman spectra of the bis(diethyldithiocarbamate)Mn(II) complex, [Mn(DDTC)2]. The calculations have been based on the DFT/B3LYP method, second derivative spec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbef141d2e9d8d9246614717d8728056
https://doi.org/10.1016/j.saa.2016.06.018

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Akademický článek

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Surface enhanced Raman scattering, electronic spectrum, natural bond orbital, and mulliken charge distribution in the normal modes of diethyldithiocarbamate copper (II) complex, [Cu(DDTC)2]

Autor: João Lucas Rangel, Leandro Raniero, M.A. Mondragón, N.C.V. Rost, Laís de Souza Vieira, O. Versiane, C.A. Téllez Soto, A.C. Costa, J.M. Ramos, Airton Abrahão Martin

Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 116:546-555

Surface-enhanced Raman scattering (SERS) was used to study the interactions of the normal modes of the diethyldithiocarbamate copper (II) complex, [Cu(DDTC)2] on nano-structured mixture silver-gold surfaces and on silver surfaces. The electronic spec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d86fe02943a09aebc35ed5092ace1bc
https://doi.org/10.1016/j.saa.2013.07.083

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Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex

Autor: Leandro Raniero, Glaucio B. Ferreira, G. Bueno Costa, G.G.A. Bussi, João Lucas Rangel, G.F. Ondar, J.M. Ramos, Airton Abrahão Martin, O. Versiane, C.A. Téllez Soto, A.C. Costa, P. P. Favero

Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 110:443-449

Surface-enhanced Raman scattering (SERS) was used to study the interactions of the normal modes of the bis(diethyldithiocarbamate)zinc(II) complex, [Zn(DDTC)2], on nano-structured silver surfaces. The electronic spectrum of this complex was measured

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78f849e7efb20a540d6a25d051e71aac
https://doi.org/10.1016/j.saa.2013.03.039

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Fourier Transform Infrared and Raman spectra, DFT: B3LYP/6-311G(d, p) calculations and structural properties of bis(diethyldithiocarbamate)copper(II)

Autor: O. Versiane, C.A. Téllez Soto, Lygia Silva de Moraes, Leandro Raniero, Airton Abrahão Martin, J.M. Ramos, G.F. Ondar, A.C. Costa

Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 105:259-266

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared (FT-IR) and FT-Raman spectra of the bis(diethydithiocarbamate)Cu(II) complex, [Cu(DDTC)(2)]. The calculations and spectra interpretation have been based on the D

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b224736104b2cddc0043fc986ae616ee
https://doi.org/10.1016/j.saa.2012.11.053

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An experimental and theoretical approach of spectroscopic and structural properties of the bis(diethyldithiocarbamate)–cobalt(II)

Autor: Airton Abrahão Martin, G. Faget Ondar, O. Versiane, C.A. Téllez Soto, A.C. Costa Júnior, Glaucio B. Ferreira, J.M. Ramos

Publikováno v: Journal of Molecular Structure. 1029:119-134

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared spectrum (FT-IR) and FT-Raman of the bis(diethydithiocarbamate)Co(II) complex, [Co(DDTC) 2 ]. The calculations have been based on the DFT/B3LYP method, second de

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::038949ff3b5c2ec6dfcd46072a60d6a2
https://doi.org/10.1016/j.molstruc.2012.06.041

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Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H2O: DFT quantum mechanical calculations

Autor: Leandro Raniero, M.T. de M. Cruz, A.C. Costa, J.M. Ramos, Glaucio B. Ferreira, Airton Abrahão Martin, O. Versiane, C.A. Téllez Soto, G.F. Ondar

Publikováno v: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 97:1041-1051

The aspartateguanidoacetatenickel (II) complex, [Ni(Asp)(GAA)], was synthesized and structural analysis was performed by means of the experimental methods: determination of the C, H, N and O contents, thermogravimetry, infrared and Raman spectroscopy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::357ca4e3cd6832f5b94a0b10bd706177
https://doi.org/10.1016/j.saa.2012.07.087

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Surface enhanced Raman scattering, natural bond orbitals and Mulliken atomic charge distribution in the normal modes of diethyldithiocarbamate cadmium (II) complex, [Cd(DDTC)₂]

Autor: Airton Abrahão Martin, A.C. Costa, Neila Machado, Tibebe Lemma, O. Versiane, C.A. Téllez Soto, M.A. Mondragón

Publikováno v: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 146

Theoretical and experimental bands have been assigned to the Fourier Transform Infrared (FT-IR) and FT-Raman spectra of the bis(diethyldithiocarbamate)Cd(II) complex, abbreviated as ([Cd(DDTC)2]). The calculations and spectral interpretation have bee

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d47d7924f93b6843544a047c4b6b3529
https://pubmed.ncbi.nlm.nih.gov/25813176

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DFT: B3LYP/6-311G (d, p) vibrational analysis of bis-(diethyldithiocarbamate)zinc(II) and natural bond orbitals

Autor: O. Versiane, C.A. Téllez Soto, A.C. Costa, Leandro Raniero, Airton Abrahão Martin, Tiago G. Santos, G.G.A. Bussi, J.M. Ramos, G.F. Ondar

Publikováno v: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 105

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of the bis-(diethydithiocarbamate)Zn(II) complex, [Zn(DDTC)(2)]. The calculations and spectra interpretati

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5893553eba414191db2dbf670ab57e96
https://pubmed.ncbi.nlm.nih.gov/23314390

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Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H₂O: DFT quantum mechanical calculations

Autor: J M, Ramos, M T, de M Cruz, A C, Costa, G F, Ondar, Glaucio B, Ferreira, L, Raniero, A A, Martin, O, Versiane, C A, Téllez Soto

Publikováno v: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 97

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::b52f451ea209db5fe9c13e78dd20db9f
https://pubmed.ncbi.nlm.nih.gov/22925980

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