论文部分内容阅读
本文在分析四苯基卟啉及其衍生物结构基础上确定了标准反应焓Δ_rH~和超共振能Δ_(S-R)H_m~(Phy-X),求出了它们的摩尔标准升华焓和气态摩尔标准生成焓,并结合HMO方法求出了这类化合物的张力焓、共振能及扭曲角。讨论了气态摩尔标准生成焓与取代基常数间的线性关系。
Based on the analysis of the structure of tetraphenylporphyrin and its derivatives, the standard reaction enthalpies Δ_rH ~ and the superresonant energy Δ_ (SR) H_m ~ (Phy-X) were determined, and their molar standard sublimation enthalpy and gaseous mole Standard enthalpy of formation and the enthalpy of enthalpy, resonance energy and torsion angle of these compounds were calculated by the method of HMO. The linear relationship between the standard molar enthalpy of formation and the substituent constant is discussed.