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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Análise de dados de RMN, deslocamentos químicos e constantes de acoplamento do sistema de hidrogênios ABX em 3,5-diaril-4,5-diidro-1H-pirazóis / Analysis of the NMR data, chemical shifts and coupling constants of ABX hydrogens system on 3,5-diaryl-4,5-dihydro-1H-pyrazoles

Disconzi, Francieli Baccim 10 September 2012 (has links)
Conselho Nacional de Desenvolvimento Científico e Tecnológico / This dissertation first describes the collection of literature data among the years 2005 to 2011 for the subsequent data analysis of 1H NMR chemical shifts and coupling constants and 2JHH 3JHH with emphasis on the synthesis of 3,5-diaryl-4,5-dihydro-1H-pyrazoles. Initially, was analyzed the data from X-ray diffraction of compounds 4,5-dihydro-1H-pyrazoles with a focus on the molecular structure description. Posteriorly, the X-rays data was correlated with the 1H NMR chemical shifts observing the influence of different substituents on the pyrazole ring. The coupling constants 2JHH 3JHH were correlated with bond angles and dihedral angles observed respectively for the molecules of 3,5-diaryl-4,5-dihydro-1H-pyrazoles. / A presente dissertação descreve inicialmente a coleta de dados da literatura entre os anos de 2005 e 2011 para a posterior análise de dados de deslocamento químico de RMN 1H, e constantes de acoplamento 2JHH e 3JHH com ênfase à síntese de 3,5-diaril-4,5-diidro-pirazóis. Primeiramente, foram analisados os dados de difração de raios-X de compostos 4,5-diidro-1H-pirazóis com foco na estrutura molecular descrita. A seguir, correlacionou-se os dados de raios-X com os deslocamentos químicos de RMN 1H observando a influência dos diferentes substituintes sobre o anel pirazolínico. Foram correlacionadas as constantes de acoplamento 2JHH e 3JHH com os ângulos de ligação e ângulos diedros observados, respectivamente, para as moléculas de 3,5-diaril-4,5-diidro-1H-pirazóis.

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