Abstract Two pyridazinium-p-nitro-phenacylids with different structure of heterocycle are studied in this paper from quantum-mechanic and spectral point of view. The dipole moment and the polarizability of ylids in their ground electronic state estimated by HyperChem and the regression coefficients established in solvatochromic analysis are used to compute the excited state dipole moment of each ylid and the angle between the dipole moments in the ylid electronic states participating to the absorption process.

中文翻译：

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从溶剂化变色研究中估计的两种哒嗪-对硝基苯甲酰肼的激发态偶极矩

摘要 本文从量子力学和光谱的角度研究了两种不同杂环结构的哒嗪-对硝基苯甲酰肼。HyperChem估计的叶立德基电子态的偶极矩和极化率以及溶剂致变色分析中建立的回归系数用于计算每个叶立德的激发态偶极矩和叶立德电子态中偶极矩之间的夹角吸收过程。