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Type: Artigo de periódico
Title: Crystal structure and theoretical studies of the keto-enol isomerism of N,N '-bis(salicylidene)-o-phenylenediamine (salophen)
Author: Mota, VZ
de Carvalho, GSG
Corbi, PP
Bergamini, FRG
Formiga, ALB
Diniz, R
Freitas, MCR
da Silva, AD
Cuin, A
Abstract: The Schiff base N,N'-bis(salicylidene)-o-phenylenediamine (salophen) was prepared by the condensation of salicylaldehyde with o-phenylenediamine in ethanol solution. The compound was characterized by elemental analysis, infrared (IR), H-1, C-13 and H-1-N-15 HMBC nuclear magnetic resonance (NMR) spectroscopic measurements, and also by X-ray diffraction. The tautomerism of salophen was also studied by calculations using density functional theory (DFT). Two of the three tautomers were shown to coexist. A comparison of the DFT data of the three tautomers has shown that the most stable one is salophen 1, which is in accordance with experimental X-ray crystallographic data. (C) 2012 Elsevier B.V. All rights reserved.
Subject: Salophen
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Citation: Spectrochimica Acta Part A-molecular And Biomolecular Spectroscopy. Pergamon-elsevier Science Ltd, v. 99, n. 110, n. 115, 2012.
Rights: fechado
Identifier DOI: 10.1016/j.saa.2012.09.002
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

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