赖氨酸铜稳定常数的测定及优化计算

Determination and Quantizing Calculation of Stability Constant of Cu-lysine

采用pH电位滴定法测定了铜离子与赖氨酸配合物在离子强度为0.1mol/L(NaCl)、温度为25℃时的pH值变化,用半整数作图法得出配合物的稳定常数为:lgK1=10.6,lgK2=8.5,lgK3=2.1。并运用量子化学密度泛函理论对产物的几何构型进行了优化,同时计算得到了热分解反应的标准热力学量变。

The change of pH value of Cu〉 - lysine complex solution with ionic strength at 0.1 moL/L （NaCl） and temperature at 25 ℃was deter- mined by using pH electric titration. The stability constants of the complex were obtained by using half-integer graphing method as follows ： lgK1 = 10.6 ,lgK2 = 8.5 and lgK3 = 2.1 resp. The geometric configuration of product was optimized by applying quantum chemical density functional theory and the standard thermodynamics quantitative change of thermal decomposition reaction was calculated out simultaneously.