【摘要】 提出键参数f_i,在此基础上定义分子键连接性指数F=sum from i=1 to m（f_i）^1/2。考虑到氯原子的个数和位置的影响,引入距离指数L将F修正,得到修正的连接性指数F_X=F+L^-.5。F_X具有很强的结构选择性,且与多氯代二苯并呋喃（PCDFs）在不同色柱上（DB-5,SE-54,OV-101）气相色谱保留指数（RI）和保留时间（RRT）具有良好的相关性。用该模型预测了135个PCDFs化合物的色谱保留数据,预测能力优于文献。该模型还具有物理意义明确,计算简便的优点。更多还原

【Abstract】 Based on the bond parameter f_i,molecular bond connectivity index F was defined,F=∑^m_i=1（f_i）^-1/2.Considering the influ- ence of the number and place of Cl atoms,modified index F_X was given,F_X=F+L^-0.5,Which had high structural selectivity and was correlated well with the retention behavior（R/and RRT）on diverse gas chromatographic stationary（DB-5,SE-54,OV-101）of Poly- chlorinated Dibenzofurans（PCDFs）.Good results have been obtained when using F_X to predict RI and RRT values.This model posses- ses the advantages of easy computation and clear physical significance.更多还原