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Optical properties and component composition of layers of cyanine dyes on dielectric supports: influence of asymmetry of the molecular electron density distribution

机译:介电载体上花青染料层的光学性质和成分组成:分子电子密度分布的不对称性的影响

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The component composition of molecular layers of dicarbocyanine dyes of cationic type on glass is determined by the absorption spectroscopy methods. For symmetric and asymmetric molecules the component composition depends on the chemical structure of a molecule and its interaction with the substrate, which are responsible for the electron density distribution in a molecule. The interaction with the substrate depends on the thickness of a layer and the orientation of a layer molecule on the substrate. The increase in the separation between the molecule and the substrate in thicker layers decreases the interaction with the substrate and the asymmetry of a molecule. In symmetric and slightly asymmetric dyes the value of the charge difference on the end groups decreases with increasing layer thickness, whereas in dyes with a large asymmetry, both the value and the sign of the charge difference change. The above results are confirmed by data on the computer simulation of the charge distribution in a dicarbocyanine cation upon its interaction with the oxygen anion on the substrate.
机译:通过吸收光谱法确定玻璃上阳离子型二碳菁染料的分子层的成分组成。对于对称和不对称分子,成分组成取决于分子的化学结构及其与底物的相互作用,这是分子中电子密度分布的原因。与基底的相互作用取决于层的厚度和层分子在基底上的取向。在较厚的层中,分子与底物之间的距离增加,会减少与底物的相互作用以及分子的不对称性。在对称和略微不对称的染料中,端基上电荷差的值随层厚度的增加而减小,而在不对称性较大的染料中,电荷差的值和正负号都发生变化。上述结果通过计算机模拟双碳菁阳离子与底物上的氧阴离子相互作用时的电荷分布的数据得到证实。

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