紫外光谱测定电荷转移络合物的热力学参数

Ultraviolet spectroscopic determination of thermodynamic parameters of charge-transfer complexes

摘要: 本文用紫外光谱技术和线性回归法编制程序,用APPle计算机计算了正已烷中硝基乙烷(A)和对二甲苯(D)形成1∶1电荷转移络合物的平衡常数,其值为0.036 L/mol(298 K),与文献报道相符。根据不同温度下的平衡常数计算了络合物的生成焓、生成自由焓和熵。

Abstract: The equilibrium constants for the 1: 1 charge-transfer complex formed between nitroethane (A) and p-xylene (D) in n-hexane are determined by UV spectroscopic technology and linear regression method. The formation enthalpy, free enthalpy and entropy of the complex have been calculated by equilibrium constants at different temperatures.