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Master's Dissertation
DOI
10.11606/D.46.2016.tde-28012016-171240
Document
Author
Full name
Hector Alexandre Chaves Gil
E-mail
Institute/School/College
Knowledge Area
Date of Defense
Published
São Paulo, 1993
Supervisor
Committee
Kawano, Yoshio (President)
Davanzo, Celso Ulysses
Osorio, Viktoria Klara Lakatos
Title in Portuguese
Estudo espectroscópico dos produtos de reação entre algumas aminas heterocíclicas alifáticas e dióxido de enxofre
Keywords in Portuguese
Aminas alifáticas
Aminas heterocíclicas
Complexos moleculares
Dióxido de enxofre
Espectroscopia Raman
Espectroscopia vibracional
Físico-química
Abstract in Portuguese
As aminas heterocíclicas alifáticas, piperidina, piperazina e pirrolidina, interagem com o dióxido de enxofre, gasoso ou líquido, dando origem a uma série de compostos em diferentes estequiometrias, os quais foram investigados fundamentalmente por técnicas espectroscópicas vibracionais, infravermelho e Raman, utilizando-se como técnicas auxiliares a espectroscopia eletrônica, espectros de massas e de ressonância magnética nuclear. Os resultados obtidos caracterizam as espécies estudadas como complexos moleculares formados entre as aminas e o SO2, especialmente devido aos deslocamentos de frequências observados nos espectros Raman, para os modos vibracionais de estiramento simétrico e deformação angular do dióxido de enxofre. Os dados indicam no sentido do estabelecimento de intensas ligações de hidrogênio, as quais devem desempenhar importante papel na estabilização dos complexos. Os deslocamentos observados nos espectros Raman encontram-se de acordo com o comportamento previsto para a interação de transferência de carga, em que o LUMO do SO2 apresenta caráter antiligante em relação à ligação S-O e ligante em relação à interação O-O.
Title in English
Spectroscopic Study of the Reaction Products of some aliphatic heterocyclic amines and sulfur dioxide
Keywords in English
Aliphatic amines
Heterocyclic amines
Molecular complexes
Physical chemistry
Raman spectroscopy
Sulfur dioxide
Vibrational spectroscopy
Abstract in English
The interaction of alifatic heterocyclic amines piperidine, piperazine and pyrrolidine, with sulfur dioxide yields a variety of products of different stoichiometry. The investigation of the formed species were carried out mainly by vibrational spectroscopic techniques, infrared and Raman, and electronic spectroscopy, mass spectrometry and nuclear magnetic resonance spectra were used as auxiliary techniques. The obtained results indicate that the studied species are charge transfer molecular complexes due to the frequency shifts of the symmetric stretching and angular deformation modes of sulfur dioxide in the Raman spectra. The data are in agreement with an S-O antibonding and a O-O bonding character of the LUMO of SO2. Hydrogen bonds play an important role in the complex stabilization.
 
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Publishing Date
2016-01-28
 
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