Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation

Autor:	Dorila Piló Veloso, Rozângela Magalhães Manfrini, David Lee Nelson, Antônio F. C. Alcântara, Flávia Rodrigues Teixeira, Ezequias Pessoa de Siqueira Filho
Jazyk:	angličtina
Rok vydání:	2012
Předmět:	Chemistry Thermodynamics General Chemistry Self-condensation self-condensation of aldimines DFT calculations Stability (probability) Lower energy lcsh:Chemistry lcsh:QD1-999 Computational chemistry Product (mathematics) Energy (signal processing) imine-enamine tautomerism
Zdroj:	Química Nova, Volume: 35, Issue: 7, Pages: 1294-1298, Published: 2012 Química Nova, Vol 35, Iss 7, Pp 1294-1298 (2012) Química Nova v.35 n.7 2012 Química Nova Sociedade Brasileira de Química (SBQ) instacron:SBQ
Popis:	The stability of N-propylbutanimine (1) was investigated under different experimental conditions. The acid-catalyzed self-condensation that produced the E-enimine (4) and Z-inimine (5) was studied by experimental analyses and theoretical calculations. Since the calculations for the energy of 5 indicated that it had a lower energy than 4, yet 4 was the principal product, the self-condensation of 1 must be kinetically controlled.
Databáze:	OpenAIRE
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