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首页> 外文期刊>RSC Advances >The application of a UHPLC system to study the formation of various chemical species by compounds undergoing efficient self-aggregation and to determine the homodimerization constants (KDM) with values in the high range of 106–1010 M?1
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The application of a UHPLC system to study the formation of various chemical species by compounds undergoing efficient self-aggregation and to determine the homodimerization constants (KDM) with values in the high range of 106–1010 M?1

机译：UHPLC系统在研究化合物通过有效自聚集形成各种化学物种并确定具有高值的均二聚常数（ K DM ）的应用10 6 –10 10 M ？1 的范围

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This work demonstrates a new concept for the use of UHPLC methodology for identification of the species formed by a self-aggregating compound depending on its concentration and solvent used, as well as to determine very large homodimerization constants (KDM = 106–1010 M?1). It is impossible to obtain such data with traditional UV-VIS and NMR measurements in compounds that undergo easy self-aggregation when their KDM values are very large (≥107 M?1). The application of the UHPLC method in tandem with a UV-VIS photodiode spectrophotometer as a detector, as well as an emission detector allowed us to perform measurements at extremely low dye concentrations (down to 10?8 M in the absorption measurement and down to 10?10 M in the fluorescence measurement). Using the well-known probe 7-aminocoumarin (C120) as a model system, we separated the monomer (M) and dimer (DM) species, and determined their concentrations and individual absorption spectra. The position of the long wavelength band in the monomer absorption spectrum agreed very well with theoretically calculated values of vertical excitation energy to the S1 state of the C120 monomer. To the best of our knowledge, this is the first report on the very efficient self-aggregation of C120 in solution, with KDM = 1.5 × 109 M?1 in polar ACN and KDM = 9 × 109 M?1 in more weakly interacting 1-chlorobutane (ChB).
机译：这项工作展示了使用UHPLC方法根据其浓度和所用溶剂鉴定由自聚集化合物形成的物种以及确定非常大的均二聚常数（ K DM = 10 6 –10 10 M ？1 ）。当它们的 K DM 值为时，对于易于自聚集的化合物，无法通过传统的UV-VIS和NMR测量获得此类数据非常大（≥10 7 M ？1 ）。 UHPLC方法与UV-VIS光电二极管分光光度计一起作为检测器以及发射检测器的应用使我们能够以极低的染料浓度（低至10 ？8 M（在吸收测量中），低至10 ？10 M（在荧光测量中）。使用众所周知的探针7-氨基香豆素（C120）作为模型系统，我们分离了单体（M）和二聚体（DM）种类，并确定了它们的浓度和单个吸收光谱。长波带在单体吸收光谱中的位置与C120单体的S 1 态的垂直激发能的理论计算值非常吻合。据我们所知，这是关于C120在溶液中非常有效的自聚集的第一个报告，其中 K DM ×极性ACN中的10 9 M ？1 和 K < sub> DM = 9×10 9 M ？1 相互作用的1-氯丁烷（ChB）。

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