| Crystal structure and theoretical studies of the keto-enol isomerism of N,N'-bis(salicylidene)-o-phenylenediamine (salophen). | |
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MedLine Citation:
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PMID: 23063852 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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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), (1)H, (13)C and (1)H(15)N 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. |
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Authors:
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Vinicius Z Mota; Gustavo S G de Carvalho; Pedro P Corbi; Fernando R G Bergamini; André L B Formiga; Renata Diniz; Maria C R Freitas; Adilson D da Silva; Alexandre Cuin |
Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-9-21 |
Journal Detail:
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Title: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Volume: 99C ISSN: 1873-3557 ISO Abbreviation: Spectrochim Acta A Mol Biomol Spectrosc Publication Date: 2012 Sep |
Date Detail:
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Created Date: 2012-10-15 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9602533 Medline TA: Spectrochim Acta A Mol Biomol Spectrosc Country: - |
Other Details:
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Languages: ENG Pagination: 110-115 Citation Subset: - |
Copyright Information:
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Copyright © 2012 Elsevier B.V. All rights reserved. |
Affiliation:
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Chemistry Department, Exact Sciences Institute, 36036-330 Juiz de Fora, MG, Brazil. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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