Solvent Effects on the UV鈥搗is Absorption and Emission of Optoelectronic Coumarins: a Comparison of Three Empirical Solvatochromic Models

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• 作者：Xiaogang Liu ; Jacqueline M. Cole ; Kian Sing Low
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：July 18, 2013
• 年：2013
• 卷：117
• 期：28
• 页码：14731-14741
• 全文大小：342K
• 年卷期：v.117,no.28(July 18, 2013)
• ISSN：1932-7455

文摘

Coumarins often function in the solution phase for a diverse range of optoelectronic applications. The associated solvent effects on the UV鈥搗is absorption and/or fluorescence spectral shifts of coumarins need to be understood in order that their photochemistry can be controlled. To this end, three different empirical solvatochromic models are assessed against 13 coumarins. The two generalized solvent scales developed by Catal谩n and co-workers demonstrate comparable performance to the popular Taft鈥揔amlet solvatochromic comparison method. A combinatorial approach to determine the best-fit equations in all of the empirical models is applied; this involves both statistical best-fits and the physical validation of the resulting parameters, based on the molecular structures of solvents and solutes and their corresponding interactions. The findings of this approach are used to extract useful information about different aspects of solvent effects on the solvatochromism of coumarins.