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
DISCONZI, Francieli Baccim. Analysis of the NMR data, chemical shifts and coupling constants of ABX hydrogens system on 3,5-diaryl-4,5-dihydro-1H-pyrazoles. 2012. 95 f. Dissertação (Mestrado em Química) - Universidade Federal de Santa Maria, Santa Maria, 2012.
Disconzi, Francieli Baccim
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.