【摘要】 应用自洽场分子轨道（PPP—MO）理论对12个可聚合色素单体的λ_m。。进行了计算,并将其与实测值进行了比较,二者拟合程度较好。关于吡啶酮类色素的PPP—MO的计算结果,理论上证明了吡啶酮型色京单体是以腙体结构存在。文中的参数选取及计算结果为今后偶氨型聚合色素单体的分子设计奠定了基础。更多还原

【Abstract】 The absorption spectra(λmax) of PPP-MO calculations and find for twelve polymeric colorant monomers were compared. The λmax -find values exactly corre-spouds with λmax-PPP calculated values. This calculated results about pyri-done azo dye monomers conformed theoretically that azo pyridone colorant monomers exist as a hydrazone form ( azo tautomeric form). This results and PPP-MO parameters established a groundwork for designing the molecule structures of polymeric colorant monomers.更多还原