多环芳烃的毛细管气相色谱(GC)保留指数预测:应用碳链准长度(N')  

Quasi-length of Carbon Chain(N') Used for Prediction of GC Retention Index of PAHs

作　　者：康继军[1,2] 曹晨忠 邹琼华 邓益群 李志良 

机构地区：[1]湖南大学化学化工学院药物研究所,长沙410082 [2]湘潭师范大学院化学系,湘潭411100

出　　处：《计算机与应用化学》2000年第1期124-124,共1页Computers and Applied Chemistry

摘　　要：依据分子极化效应理论 ,用碳链准长度N′对 1 0 0个多环芳烃化合物进行了相关性研究 ,发现存在良好的线性相关关系 :RI =a +bN′ ,其中a ,b为继 ,结果表明碳链准长度N′能定量表述分子极化效应对多环芳烃的色谱保留值的影响 ,可用于多环芳烃的气相色谱保留指数的估计与预测。The molecular polarizability index and quasi length carbon chain were calculated for the Polycycli aromatic hydrocarbons(PAHs) basing on the Polarizability Effect Index(PEI) theory. It was discovered that there was a good linearity relation between the quasi length of carbon chain(N′) and the gas chromatography retention index for PHAs,and the relationship can be expressed as follows:RI=a+bNr' where a,b represents regression coefficients. The regression result shows that the quasi length of carbon chain Nr' is good agreement with the effect of molecular polarizability ability to the gas chromatography retention index for the Polycyclic aromatic hydrocarbons(PAHs).

关 键 词：多环芳烃 毛细管气相色谱 碳链准长度 

分 类 号：O625.15[理学—有机化学] O561[理学—化学]