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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Role of the medium on the C343 inter/intramolecular hydrogen bond interactions. An absorption, emission, and ~1HNMR investigation of C343 in benzene-heptane mixtures
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Role of the medium on the C343 inter/intramolecular hydrogen bond interactions. An absorption, emission, and ~1HNMR investigation of C343 in benzene-heptane mixtures

机译：介质在C343间/分子间氢键相互作用中的作用。苯/正庚烷混合物中C343的吸收，发射和〜1HNMR研究

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摘要

C343, a common molecular probe utilized in solvation dynamics experiments, was studied in homogeneous media. Absorption, emission, and ~1HNMR spectroscopies were used to investigate the behavior of C343 in benzene and in benzene-heptane mixtures. We demonstrate the implications of the medium polarity, measured as the Kamlet-Taft polarity-polarizability (π) parameter, in the C343 inter/intramolecular hydrogen bond (H-bond) interactions and the role that this interaction plays in the dimerization process of the dye. In pure benzene, the dimer prevails because the intermolecular H-bond interaction is favored. On the other hand, as the n-heptane content increases the intramolecular H-bond is the strongest and the C343 monomer is favored. As the polarity of the medium decreases, the solvophobic interaction makes that C343 monomer species experiences a more complicated aggregation process beyond the simple monomer dimer equilibrium present in pure benzene. Thus, the addition of n-heptane to the mixture yields a C343 higher-order aggregates species. Thus, our work reveals the importance that the medium has on the behavior of a widespread dye used as chromophore for very different systems such as homogeneous and microheterogenous media. This is very important since the use of chromophores without understanding its chemistry can induce artifacts into the interpretation of solvation dynamics in heterogeneous environments, in particular, those provided by biological systems such as proteins. Considerable care in choosing and characterizing the system is required to analyze the results fully.
机译：C343是在溶剂化动力学实验中使用的常见分子探针，已在均相介质中进行了研究。吸收，发射和〜1HNMR光谱用于研究C343在苯和苯/正庚烷混合物中的行为。我们证明了在C343分子间/分子间氢键（H键）相互作用中，以Kamlet-Taft极性-极化率（π）参数衡量的中等极性的含义，以及该相互作用在分子的二聚化过程中的作用。染料。在纯苯中，二聚体占优势，因为分子间的氢键相互作用更为有利。另一方面，随着正庚烷含量的增加，分子内氢键最强，并且C343单体受到青睐。随着介质极性的降低，疏溶剂相互作用使C343单体种类经历了更复杂的聚集过程，超出了纯苯中存在的简单单体二聚体平衡。因此，向混合物中加入正庚烷会产生C343高阶聚集体。因此，我们的工作揭示了介质对于广泛使用的染料（作为发色团）在非常不同的系统（例如均相和微异相介质）中的行为的重要性。这是非常重要的，因为在不了解异质环境（特别是由诸如蛋白质等生物系统提供的异质环境）中使用生色团会导致人工现象解释溶剂化动力学。为了充分分析结果，在选择和表征系统时要格外小心。

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