Research Institute of Chemistry, V. N. Karazin Kharkiv National University, Svobody sq. 4, Kharkiv 61022, Ukraine.
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Mar 15;269:120741. doi: 10.1016/j.saa.2021.120741. Epub 2021 Dec 13.
The formation of associates between single- or double-charged anions of bromocresol purple (3,3'-dimethyl-5,5'-dibromophenolsulfonephthalein) and single-charged cations of cyanines (quinaldine blue, quinaldine red) has been investigated. The equilibrium constants of the association have been determined on the basis of UV-Vis spectroscopy data. The energy of the cation-anion interaction (the standard enthalpy of formation of ions and associates), as well as the probable structure of associates, were established using the PM7 semiempirical method. The presented results can be useful in the development of new spectroscopic methods for the detection of organic additives in water (e.g. acetone) due to the spectral properties of dissimilar associates.
已经研究了溴甲酚紫（3,3'-二甲基-5,5'-二溴苯酚磺酞）的单电荷或双电荷阴离子与菁染料（喹吖啶酮蓝、喹吖啶酮红）的单电荷阳离子之间形成配合物的情况。基于紫外可见光谱数据确定了配合物形成的平衡常数。使用 PM7 半经验方法确定了阳离子-阴离子相互作用的能量（离子和配合物形成的标准焓）以及配合物的可能结构。由于不同配合物的光谱性质，所呈现的结果可用于开发用于检测水中（例如丙酮）有机添加剂的新光谱方法。
