Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures

The solvatochromic characteristics of flavone and 7-hydroxyflavone were investigated in neat and binary solvent mixtures. The spectral shifts of these solutes were correlated with the Kamlet and Taft parameters (α, β and π*) using linear solvation energy relationships. The multiparametric analysis i...

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Autores principales:	Sancho, Matías I., Almandoz, María C., Blanco, Sonia E., Castro, Eduardo A.
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2011
Materias:	Ciencias Exactas Química flavones 7 hydroxyflavone LSER acetonitrile binary solvent preferential solvation cyclohexane solvatochromism solvent TD-DFT calculations absorption energy
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/37224 http://www.mdpi.com/1422-0067/12/12/8895
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-37224
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institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Ciencias Exactas Química flavones 7 hydroxyflavone LSER acetonitrile binary solvent preferential solvation cyclohexane solvatochromism solvent TD-DFT calculations absorption energy
spellingShingle	Ciencias Exactas Química flavones 7 hydroxyflavone LSER acetonitrile binary solvent preferential solvation cyclohexane solvatochromism solvent TD-DFT calculations absorption energy Sancho, Matías I. Almandoz, María C. Blanco, Sonia E. Castro, Eduardo A. Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
topic_facet	Ciencias Exactas Química flavones 7 hydroxyflavone LSER acetonitrile binary solvent preferential solvation cyclohexane solvatochromism solvent TD-DFT calculations absorption energy
description	The solvatochromic characteristics of flavone and 7-hydroxyflavone were investigated in neat and binary solvent mixtures. The spectral shifts of these solutes were correlated with the Kamlet and Taft parameters (α, β and π*) using linear solvation energy relationships. The multiparametric analysis indicates that both specific hydrogen bond donor ability and non-specific dipolar interactions of the solvents play an important role in absorption maxima of flavone in pure solvents. The hydrogen bond acceptor ability of the solvent was the main parameter affecting the absorption maxima of 7-hydroxyflavone. The simulated absorption spectra using a TD-DFT method were in good agreement with the experimental ones for both flavones. Index of preferential solvation was calculated as a function of solvent composition. Preferential solvation by ethanol was detected in cyclohexane-ethanol and acetonitrile-ethanol mixtures for flavone and in acetonitrile-ethanol mixtures for 7-hydroxyflavone. These results indicate that intermolecular hydrogen bonds between solute and solvent are responsible for the non-linear variation of the solvatochromic shifts on the mole fraction of ethanol in the analyzed binary mixtures.
format	Articulo Articulo
author	Sancho, Matías I. Almandoz, María C. Blanco, Sonia E. Castro, Eduardo A.
author_facet	Sancho, Matías I. Almandoz, María C. Blanco, Sonia E. Castro, Eduardo A.
author_sort	Sancho, Matías I.
title	Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
title_short	Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
title_full	Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
title_fullStr	Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
title_full_unstemmed	Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
title_sort	spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures
publishDate	2011
url	http://sedici.unlp.edu.ar/handle/10915/37224 http://www.mdpi.com/1422-0067/12/12/8895
work_keys_str_mv	AT sanchomatiasi spectroscopicstudyofsolventeffectsontheelectronicabsorptionspectraofflavoneand7hydroxyflavoneinneatandbinarysolventmixtures AT almandozmariac spectroscopicstudyofsolventeffectsontheelectronicabsorptionspectraofflavoneand7hydroxyflavoneinneatandbinarysolventmixtures AT blancosoniae spectroscopicstudyofsolventeffectsontheelectronicabsorptionspectraofflavoneand7hydroxyflavoneinneatandbinarysolventmixtures AT castroeduardoa spectroscopicstudyofsolventeffectsontheelectronicabsorptionspectraofflavoneand7hydroxyflavoneinneatandbinarysolventmixtures
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Spectroscopic study of solvent effects on the electronic absorption spectra of flavone and 7-hydroxyflavone in neat and binary solvent mixtures

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