【摘要】 本文用分子轨道图形理论推导出喹啉菁、硫碳菁、氧碳菁和硒碳菁等十六个增感染 料分子的本征多项式，并求解了这些分子的电子能级。用线性回归分析方法确定了交换 积分β，由此得到的染料分子的激活能和还原半波电位值均与实验数据符合得很好。全 部计算工作只需ＴＩ—５８型袖珍计算器即可完成。更多还原

【Abstract】 The eigenpolynomes of 16 sensitive dye molecules including quinocyanine, thiacarbocyanine, oxacarbocyanine and selenacarbocyanine were derived by aid of Molecular Orbital Graph Theory, Energies of the molecular electronic levels obtained by solving these polynomes were also presented. The resonance integral β was evaluated with linear regressive analysis. Values of excited energies and reduction half-wave potential of these dyes were paralleled with each other, being in complete agreement with the published experimental data. All these calculations are only performed just with a programmable poeket calculator.更多还原