Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones / Jelena Mirkovic in COLORATION TECHNOLOGY, Vol. 134, N° 1 (02/2018)  

[article]  inCOLORATION TECHNOLOGY > Vol. 134, N° 1 (02/2018) . - p. 33-43 Titre : Structural, spectroscopic and computational study of 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones Type de document : texte imprimé Auteurs : Jelena Mirkovic, Auteur ; Bojan D. Bozic, Auteur ; Vesna D. Vitnik, Auteur ; Zeljko Vitnik, Auteur ; Jelena Rogan, Auteur ; Dejan Poleti, Auteur ; Gordana UÅ¡ćumlić, Auteur ; Dusan Mijin, Auteur Année de publication : 2018 Article en page(s) : p. 33-43 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Analyse numérique Analyse spectrale Colorants -- Analyse Colorants azoïques Cristallographie Structure cristalline (solide) Index. décimale : 667.3 Teinture et impression des tissus Résumé : Ten 5-(substituted phenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones were studied (five new compounds) to provide insight into the electronic effects of diverse substituents located at different positions in their phenyl moieties. The structural features of these dyes were examined by combining experimental and theoretical approaches. The crystal structures of two derivatives were revealed by X-ray crystallography and diverse packing modes owing to different intermolecular interactions (π–π stacking and lone pair–π interactions, as well as hydrogen bonds) were found. A study on lattice energy and energy related to the molecular pairs obtained from their crystal packing was performed. The tautomerism and ionisation of the dyes in ethanol or N,N -dimethylformamide solution were rationalised in terms of diazo component substitution pattern. Note de contenu : - EXPERIMENTAL : Materials and methods - Synthesis - X-ray crystallography - Theoretical calculations - RESULTS AND DISCUSSION : Optimised geometry in vacuum - Crystal structures of 5 and 7 - Experimental vs theoretical analysis of crystal packing - Spectroscopic characterisation DOI : 10.1111/cote.12321 En ligne : https://onlinelibrary.wiley.com/doi/epdf/10.1111/cote.12321 Format de la ressource électronique : Pdf Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=30125 [article]

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