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用分子力学方法研究了硫代双烯型过渡金属螯合物溶剂效应的分子模型及定量性能关系。得到了该类结构染料最大吸收波长与其在溶液中构象能的半定量关系，为快速预测该类结构染料最大吸收波长提供了一个新的方法。
Molecular mechanics method was used to study the molecular modeling and quantitative properties of thio-dimer transition metal chelate solvent effect. The semi-quantitative relationship between the maximum absorption wavelength and the conformational energy of the dye in this kind of structure was obtained, which provided a new method for the rapid prediction of the maximum absorption wavelength of this type of dye.