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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Polar Dyes in Solution: A Joint Experimental and Theoretical Study of Absorption and Emission Band Shapes
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Polar Dyes in Solution: A Joint Experimental and Theoretical Study of Absorption and Emission Band Shapes

机译：溶液中的极性染料：吸收和发射能带形状的联合实验和理论研究

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摘要

Absorption and steady-state emission spectra of two fluorescent dyes are measured in a series of aprotic solvents with similar refractive index and different polarity. The spectra are interpreted in terms of a two-state electronic model accounting for the coupling to internal vibrations and to an effective solvation coordinate. The proposed approach naturally accounts not only for solvatochromic shifts of absorption and emission bands but also for the evolution of band shapes with solvent polarity and for the observation of nonspecular absorption and fluorescence bands. The good agreement between experimental and calculated spectra confirms the validity of a two-state picture for the low-energy spectral properties of these donor-acceptor molecules, provided that the molecular polarizability is fully accounted for. The role of conformational degrees of freedom in flexible chromophores is also addressed.
机译：在一系列具有相似折射率和不同极性的非质子传递溶剂中测量了两种荧光染料的吸收光谱和稳态发射光谱。用考虑到与内部振动和有效溶剂化坐标的耦合的两态电子模型来解释光谱。所提出的方法自然不仅考虑了吸收和发射带的溶剂化变色，而且考虑了具有溶剂极性的能带形状的演变以及非镜面吸收和荧光带的观察。实验光谱和计算光谱之间的良好一致性证实了对于这些供体-受体分子的低能光谱特性而言，两态图片的有效性，前提是要充分考虑分子的极化性。还讨论了构象自由度在柔性发色团中的作用。

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