Spectral characterisation and computational studies of some novel phenylazoindol-2-one dyes / Zeynel Seferoglu in COLORATION TECHNOLOGY, Vol. 125, N° 6 (2009)  

[article]  inCOLORATION TECHNOLOGY > Vol. 125, N° 6 (2009) . - p. 342-351 Titre : Spectral characterisation and computational studies of some novel phenylazoindol-2-one dyes Type de document : texte imprimé Auteurs : Zeynel Seferoglu, Auteur ; Ebru Aktan, Auteur ; Nermin Ertan, Auteur Année de publication : 2010 Article en page(s) : p. 342-351 Note générale : Bibliogr. Langues : Anglais (eng) Index. décimale : 667.3 Teinture et impression des tissus Résumé : A series of novel phenylazo disperse dyes were prepared by coupling selected diazotised 3- or 4-anilines with indol-2-one. The structures of the synthesised dyes were determined by spectroscopic and analytical methods. Solvent effects on the ultraviolet–visible absorption spectra of these novel dyes were studied. The colour of the dyes was evaluated with respect to the substituent therein. Acid and base effects on the visible absorption maxima of the dyes were also reported. The tautomerism of 3-(phenyldiazenyl)indol-2-one was modelled by density functional theory at the B3LYP level. The ultraviolet–visible absorption spectra for the tautomers were reproduced with the time-dependent density functional theory and semi-empirical Zerner's intermediate neglect of differential overlap/spectroscopic (ZINDO/S) method. The predominance of the keto–hydrazone tautomer was confirmed experimentally and theoretically. DOI : 10.1111/j.1478-4408.2009.00216.x En ligne : http://onlinelibrary.wiley.com/doi/10.1111/j.1478-4408.2009.00216.x/pdf Format de la ressource électronique : Pdf Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=7624 [article]

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Structural analysis of 5-[thiazol-2-yldiazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione in both solid state and solution / Zeynel Seferoglu in COLORATION TECHNOLOGY, Vol. 124, N° 2 (2008)  

[article]  inCOLORATION TECHNOLOGY > Vol. 124, N° 2 (2008) . - p. 111-116 Titre : Structural analysis of 5-[thiazol-2-yldiazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione in both solid state and solution Type de document : texte imprimé Auteurs : Zeynel Seferoglu, Auteur ; Hökilek Tuncer, Auteur ; Ertan Sahin, Auteur Année de publication : 2009 Article en page(s) : p. 111-116 Note générale : Bibliogr. Langues : Anglais (eng) Index. décimale : 667.3 Teinture et impression des tissus Résumé : The synthesis, crystal structure analysis and characterisation of 5-[thiazol-2-yldiazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione are reported. This dye was characterised by ultraviolet–visible, Fourier Transform–infrared, proton nuclear magnetic resonance spectroscopy, mass spectrometry techniques and elemental analysis. Both the effects of pH value and solvent polarity upon the absorption properties of the dye have been presented. In addition, the structure of the dye has been determined by a single crystal The synthesis, crystal structure analysis and characterisation of 5-[thiazol-2-yldiazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione are reported. This dye was characterised by ultraviolet–visible, Fourier Transform–infrared, proton nuclear magnetic resonance spectroscopy, mass spectrometry techniques and elemental analysis. Both the effects of pH value and solvent polarity upon the absorption properties of the dye have been presented. In addition, the structure of the dye has been determined by a single crystal X-ray diffraction method. The dye was triclinic in P-1 with a = 8.2419(2) Ã…, b = 10.6225(3) Ã…, c = 12.5106(3) Ã…, a = 90.543(1)°, B = 102.79(3)°, Y = 103.858(1)°, V = 1035.26(5) Ã…3, Dcalc = 1.634 g/cm3 and Z = 2. The asymmetric unit contains two crystallographically independent C7H5N5O3S molecules, alongside one half of the solvent C2H6O2 molecule. In the crystal structure, intramolecular N–H…N and intermolecular N–H…N, N–H…O, O–H…N, C–H…O and C–H…N hydrogen bonds link the molecules to form a supramolecular network in which they seem to be effective in the stabilisation of the structure. DOI : 10.1111/j.1478-4408.2008.00130.x En ligne : http://onlinelibrary.wiley.com/doi/10.1111/j.1478-4408.2008.00130.x/pdf Format de la ressource électronique : Pdf Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=3151 [article]

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Synthesis, spectral characterisation and antimicrobial activity of new disazo dyes derived from heterocyclic coupling components / Zeynel Seferoglu in COLORATION TECHNOLOGY, Vol. 124, N° 1 (2008)  

[article]  inCOLORATION TECHNOLOGY > Vol. 124, N° 1 (2008) . - p. 27-35 Titre : Synthesis, spectral characterisation and antimicrobial activity of new disazo dyes derived from heterocyclic coupling components Type de document : texte imprimé Auteurs : Zeynel Seferoglu, Auteur ; Nermin Ertan, Auteur ; Ebru Yilmaz, Auteur ; Güven Uraz, Auteur Année de publication : 2009 Article en page(s) : p. 27-35 Note générale : Bibliogr. Langues : Anglais (eng) Index. décimale : 667.3 Teinture et impression des tissus Résumé : Two series of new disazo dyes were prepared by diazotising 4,4'-diaminodiphenylsulphonamide and 4,4'-diaminodiphenylurea and coupling with 3-methyl-1-phenyl-pyrazoline-5-one, 2-methylindole, 8-hydroxyquinoline, 2-phenylindole, 1-methyl-2-phenylindole, 3-amino-1-phenyl-pyrazoline-5-one. These dyes were characterised by ultraviolet–visible, Fourier transform infrared, nuclear magnetic resonance spectroscopic techniques and elemental analysis. The spectral characterisation of the dyes was evaluated with respect to visible absorption properties in various solvents. The effects of acid and base on the visible absorption maxima of the dyes were also reported. In addition, the antimicrobial effect of the dyes was evaluated. DOI : 10.1111/j.1478-4408.2007.00117.x En ligne : http://onlinelibrary.wiley.com/doi/10.1111/j.1478-4408.2007.00117.x/pdf Format de la ressource électronique : Pdf Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=3136 [article]

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The synthesis, characterisation and molecular structure of a new hetarylazoindole dye studied by X-ray diffraction, spectral analysis and density functional theory calculation / Ebru Aktan in COLORATION TECHNOLOGY, Vol. 128, N° 5 (2012)  

[article]  inCOLORATION TECHNOLOGY > Vol. 128, N° 5 (2012) . - p. 371-377 Titre : The synthesis, characterisation and molecular structure of a new hetarylazoindole dye studied by X-ray diffraction, spectral analysis and density functional theory calculation Type de document : texte imprimé Auteurs : Ebru Aktan, Auteur ; Zeynel Seferoglu, Auteur ; Tuncer Hökelek, Auteur ; Ertan Sahin, Auteur Année de publication : 2012 Article en page(s) : p. 371-377 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Analyse spectrale Caractérisation Colorants -- Synthèse Diffractométrie de rayons X Fonctionnelles densité La théorie de la fonctionnelle de la densité (pour Density Functional Theory, sous-entendu électronique : DFT) constitue au début du XXIe siècle l'une des méthodes les plus utilisées dans les calculs quantiques de la structure électronique de la matière (atomes, molécules, solides) aussi bien en physique de la matière condensée qu'en chimie quantique. La DFT trouve ses origines dans le modèle développé par Llewellyn Thomas et Enrico Fermi à la fin des années 1920. Structure moléculaire Index. décimale : 667.3 Teinture et impression des tissus Résumé : 1,2-Dimethyl-3-(5-methylisoxazol-3-yldiazenyl)-1H-indole was obtained by coupling 3-amino-5-methylisoxazole with diazotised 1,2-dimethylindole. It was characterised by proton and carbon nuclear magentic resonance, ultraviolet–visible, infrared and Raman spectra, and the X-ray single crystal diffraction method. On the theoretical side, the molecular geometry, chemical shifts and the fundamental vibrational frequencies were evaluated using density functional theory. Time-dependent density functional theory was used to evaluate the electronic excitation spectra. In addition, the scaled quantum mechanical approach was used to study the total energy distributions of the vibrational modes of the molecule. The results showed that the general agreement between experimental and calculated geometric parameters, chemical shifts and ?max values are good. Excellent agreement was found between the calculated and experimental vibrational frequencies. Note de contenu : - EXPERIMENTAL : General - Preparation of 1,2-dimethyl-3(5-methylisoxazol-3-yldiazenyl)-1H-indole - Computational study - Crystallography - RESULTS AND DISCUSSION : Crystal structure analysis - Comparison of computational and experimental results DOI : 10.1111/j.1478-4408.2012.00390.x En ligne : http://onlinelibrary.wiley.com/doi/10.1111/j.1478-4408.2012.00390.x/pdf Format de la ressource électronique : Pdf Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=15805 [article]

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X-Ray crystal structure analysis and determination of azo-enamine and hydrazone-imine tautomers of two hetarylazo indole dyes / Süheyla Özbey in COLORATION TECHNOLOGY, Vol. 123, N° 6 (2007)  

[article]  inCOLORATION TECHNOLOGY > Vol. 123, N° 6 (2007) . - p. 358-364 Titre : X-Ray crystal structure analysis and determination of azo-enamine and hydrazone-imine tautomers of two hetarylazo indole dyes Type de document : texte imprimé Auteurs : Süheyla Özbey, Auteur ; Arzu Karayel, Auteur ; Gülten Kavak, Auteur ; Zeynel Seferoglu, Auteur ; Nermin Ertan, Auteur Année de publication : 2008 Article en page(s) : p. 358-364 Note générale : Bibliogr. Langues : Anglais (eng) Index. décimale : 667.3 Teinture et impression des tissus Résumé : Two hetarylazo indole dyes were analyzed by single crystal X-ray diffraction. Dye 1, C18H14N4O, crystallises in the monoclinic system, space group P21/c, with two independent molecules in the asymmetric unit. Dye 2, C20H16N4, also crystallises in the monoclinic system, space group P21/n, Z = 4. In both compounds, there are two intramolecular C–H...N hydrogen bonds which influenced the molecular conformation between the azo group and the indole ring system and its phenyl substituent. Each of the independent molecules of dye 1 interact through the N–H...N hydrogen bond, whereas no classical intermolecular hydrogen bond was observed in dye 2. The molecules of dye 1 and dye 2 are packed differently in both structures. DOI : 10.1111/j.1478-4408.2007.00110.x En ligne : http://onlinelibrary.wiley.com/doi/10.1111/j.1478-4408.2007.00110.x/pdf Format de la ressource électronique : Pdf Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=6855 [article]

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