摘要
根据分子拓扑理论 ,提出了一个新的键参数拓扑指数YZ,并用YZ 与过渡金属卤化物标准生成焓 -△fHθm 进行关联 ,相关性良好 .研究结果表明 :新的方法物理意义明确 ,使用方便 。
Based on the molecular topological theory, a new bond parameter topological index Y\-Z was proposed and used to study the standard enthalpies of formation of -△ fH θ m translation metals halides.The research indicates that there is a good linear relation between Y\-Z and standard enthalpies of formation -△ fH θ m . The new topological index has clear physical significance and convenient fitted equation is and accurate in calculation.
关键词
过渡金属
卤化物
标准生成焓
拓扑指数
相关性
transition metal
halides
standard enthalpies of formation -△ fH θ m
topological index
correlatively
