Nigam S, Stubbs RJ, Rutan SC
Department of Chemistry, Virginia Commonwealth University, Richmond 23284-2006, USA.
Anal Chem. 2000 May 1;72(9):1956-63. doi: 10.1021/ac9912350.
The solvatochromic comparison method has been used to probe the interactions of solutes with binary solvent mixtures of methanol-water and acetonitrile-water. The solute spectra recorded in these mixtures are composed of the additive spectral contributions of the different solvated species of the solute, i.e., the water-solvated species, the cosolvent-solvated species, and the species solvated by water-solvent complexes. Multivariate curve resolution-alternating least squares has been used to model the solvation of the solutes as a function of the composition of the binary solvent mixture. Spectra and concentration profiles of the dye surrounded by the different solvation environments have been isolated. For the first time, solute spectra solvated exclusively by methanol-water and acetonitrile-water complexes have been obtained, and the solvatochromic parameters of dipolarity/polarizability and hydrogen-bonding acidity have been estimated for these complex species.
溶剂化显色比较法已被用于探究溶质与甲醇 - 水和乙腈 - 水二元溶剂混合物之间的相互作用。在这些混合物中记录的溶质光谱由溶质不同溶剂化物种的加和光谱贡献组成，即水溶剂化物种、助溶剂溶剂化物种以及由水 - 溶剂络合物溶剂化的物种。多元曲线分辨 - 交替最小二乘法已被用于将溶质的溶剂化建模为二元溶剂混合物组成的函数。已分离出处于不同溶剂化环境中的染料的光谱和浓度分布。首次获得了仅由甲醇 - 水和乙腈 - 水络合物溶剂化的溶质光谱，并估算了这些络合物物种的偶极矩/极化率和氢键酸度的溶剂化显色参数。
