Núcleo de Espectroscopia e Estrutura Molecular, Departamento de Química, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900, Brazil.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jul;111:54-61. doi: 10.1016/j.saa.2013.03.052. Epub 2013 Mar 29.
The investigation of solutions of squaric acid in dimethylsulfoxide (DMSO) by Raman spectroscopy has facilitated the observation of the presence of different species derived from squaric acid such as the squarate dianion in solutions of 0.3M and 0.5M concentration and the hydrogen-squarate ion in solution concentrations greater than 2.0M. The method described by Alía and coworkers was used to calculate the two pK values corresponding to the ions produced by squaric acid interacting with DMSO: the hydrogen squarate (pK1=0.80) ion and the squarate dianion (pK2=0.84). From the spectroscopic data it has been also possible to determine the complex formation between associated squaric acid/DMSO in the proportion squaric acid 1:1 DMSO in which the associated squaric acid is hydrogen-bonded to the S atom in the DMSO structure.
通过拉曼光谱研究了丁二砜（DMSO）中均苯二甲酸的溶液，观察到了不同物种的存在，如 0.3M 和 0.5M 浓度溶液中的均苯二甲酸二阴离子，以及浓度大于 2.0M 的溶液中的氢均苯二甲酸离子。采用 Alía 及其同事描述的方法计算了由均苯二甲酸与 DMSO 相互作用产生的两种 pK 值：氢均苯二甲酸（pK1=0.80）离子和均苯二甲酸二阴离子（pK2=0.84）。从光谱数据还可以确定缔合的均苯二甲酸/DMSO 之间的络合形成，在均苯二甲酸与 1:1 的 DMSO 的比例中，缔合的均苯二甲酸通过氢键与 DMSO 结构中的 S 原子结合。
