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Master's Dissertation
DOI
https://doi.org/10.11606/D.76.2014.tde-21032014-082943
Document
Author
Full name
Igor D'Anciães Almeida Silva
E-mail
Institute/School/College
Knowledge Area
Date of Defense
Published
São Carlos, 2014
Supervisor
Committee
Gonzalez, Jose Pedro Donoso (President)
Li, Maximo Siu
Walmsley, Lygia Christina de Moura
Title in Portuguese
Estudos de ressonância paramagnética eletrônica de complexos mononucleares e dinucleares de cobre
Keywords in Portuguese
Complexos dinucleares de cobre
Complexos mononucleares de cobre
Ressonância paramagnética eletrônica
Abstract in Portuguese
Nesta dissertação, apresentamos dois estudos por ressonância paramagnética eletrônica (RPE) de complexos de cobre. O primeiro estudo contempla os complexos mononucleares de cobre e seu objetivo é analisar a simetria de coordenação dos sítios paramagnéticos. Os espectros de RPE obtidos em banda X na temperatura de 50K para as amostras de membranas e bio-membranas dopadas com Cu(ClO4)2 indicam a presença do íon Cu2+ em sítios de simetria axial. Com a análise dos espectros experimentais, obtivemos os parâmetros do Hamiltoniano de spin e através do modelo empírico de Peisach-Blumberg foi possível observarmos que, para a maioria das amostras analisadas, a complexação equatorial do íon Cu2+ ocorre com átomos de nitrogênio e oxigênio. O segundo estudo contempla os complexos dinucleares de cobre e seu objetivo é analisar as interações dipolar e de troca. Os espectros obtidos em banda Q em temperatura ambiente (300K) para o complexo dinuclear [Cu2(Sant)4 (H2O)2] 2.5H2O em sua forma monocristalina indicaram a presença do íon Cu2+ em sítios de simetria axial com duas unidades dinucleares magneticamente não equivalentes por célula unitária na amostra. Com a análise da variação angular das linhas de ressonância foi possível obtermos os parâmetros do Hamiltoniano de Spin e estimarmos a constante de acoplamento de troca como sendo J0 <≈>324 cm1.
Title in English
Electron paramagnetic resonance studies of monomeric and dimeric copper complexes
Keywords in English
Dimeric copper complexes
Electron paramagnetic resonance
Monomeric copper complexes
Abstract in English
This dissertation presents two electron paramagnetic resonance (EPR) studies on copper complexes. The first study focused mononuclear copper complexes and its objective is to analyze the symmetry of coordination of the paramagnetic sites. The 50K X-band EPR spectra obtained for membranes and bio-membranes doped with Cu(ClO4)2 indicates the presence of the Cu2+ ion in axially distorted sites. Through the analysis of the experimental spectra the spin Hamiltonian parameters are obtained and using the Peisach-Blumberg empirical model its possible to notice that the equatorial complexation of the Cu2+ ion occurs with both nitrogen and oxigen for most of the samples. The second study focused dinuclear copper complexes and its objective is to analyze both dipolar and exchange interactions. The room temperature Q-band EPR spectra obtained for the monocrystalline form of the dinuclear complex [Cu2(sant)4 (H2O)2] 2.5H2O indicates the presence of the Cu2+ ion in axially distorted sites with two non-equivalent dimeric units per unit cell of the sample. With the analisys of the angular variation of the resonant lines we are able to obtain the spin Hamiltonian parameters and estimate the exchange coupling constant J0 ≈ 324 cm1.
 
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Publishing Date
2014-03-24
 
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