A general framework for the solvatochromism of pyridinium phenolate betaine dyes

[Display omitted] ► A general framework is presented for the solvatochromism of pyridinium phenolate betaine dyes. ► The three types of solvatochromism (negative, inverted and positive) are ultimately reduced to a general inverted behavior. ► The type of solvatochromism is determined by the region w...

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Bibliographic Details
Published in:Chemical physics letters 2013-02, Vol.558, p.77-81
Main Authors: Rezende, Marcos Caroli, Aracena, Andrés
Format: Article
Language:English
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Summary:[Display omitted] ► A general framework is presented for the solvatochromism of pyridinium phenolate betaine dyes. ► The three types of solvatochromism (negative, inverted and positive) are ultimately reduced to a general inverted behavior. ► The type of solvatochromism is determined by the region where this inversion should take place. ► The framework explains an ‘anomalous’ solvatochromic behavior of large betaines. ► Changes in the behavior of dyes, when their structures are modified, are also explained. A general framework for the solvatochromic behavior of pyridinium phenolate betaine dyes is presented, based on the variations with the medium of the electrophilic Fukui functions of their electron-pair donor and acceptor moieties. The model explains the ‘anomalous’ solvatochromic behavior of large betaines, which change their behavior from negative to inverted, when electron-pair donor and acceptor groups are separated by a conjugated chain of variable size.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2012.09.067