Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/57441
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
Tautomerism
DFT
Salicylaldehyde
o-Phenylenediamine
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Rights: fechado
Identifier DOI: 10.1016/j.saa.2012.09.002
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
WOS000311814300018.pdf558.4 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.