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首页> 外文期刊>Chemistry: A European journal >Thermodynamic Study of Dihydrogen Phosphate Dimerisation and Complexation with Novel Urea- and Thiourea-Based Receptors
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Thermodynamic Study of Dihydrogen Phosphate Dimerisation and Complexation with Novel Urea- and Thiourea-Based Receptors

机译：磷酸二氢二聚和新型尿素和硫脲基受体络合的热力学研究

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摘要

Complexation of dihydrogen phosphate by novel thiourea and urea receptors in acetonitrile and dimethyl sulfoxide was studied in detail by an integrated approach by using several methods (isothermal titration calorimetry, ESIMS, and H-1 NMR and UV spectroscopy). Thermodynamic investigations into H2PO4 dimerisation, which is a process that has been frequently recognised, but rarely quantitatively described, were carried out as well. The corresponding equilibrium was taken into account in the anion-binding studies, which enabled reliable determination of the com-plexation thermodynamic quantities. In both solvents the thiourea derivatives exhibited considerably higher binding affinities with respect to those containing the urea moiety. In acetonitrile, 1: 1 and 2: 1 (anion/ receptor) complexes formed, whereas in dimethyl sulfoxide only the significantly less stable complexes of 1: 1 stoichiometry were detected. The solvent effects on the thermodynamic parameters of dihydrogen phosphate dimerisation and complexation reactions are discussed.
机译：通过使用多种方法（等温滴定量热法，ESIMS，H-1 NMR和UV光谱法）以集成方法详细研究了新型硫脲和尿素受体在乙腈和二甲基亚砜中对磷酸二氢的络合作用。还进行了对H2PO4二聚化的热力学研究，H2PO4二聚化是一个公认的过程，但很少进行定量描述。在阴离子结合研究中考虑了相应的平衡，这使得能够可靠地确定络合物的热力学量。在两种溶剂中，硫脲衍生物相对于含有脲部分的那些都表现出明显更高的结合亲和力。在乙腈中，形成了1：1和2：1（阴离子/受体）配合物，而在二甲基亚砜中，只检测到化学计量比为1：1的稳定性大大降低的配合物。讨论了溶剂对磷酸二氢二聚和络合反应热力学参数的影响。

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