【摘要】 表征化学键的成键本质经常用AIM分析方法,AIM分析侧重于计算得出的AIM参数之间的相互关系,包括电子能量密度,拉普拉斯量和电子密度。通过这些参数之间的关系来判定化学键本质。另外,化学键的本质也可以通过化学键的键能(结合能)大小来表征,结合能是根据形成化合物时成键的能量来区分各种化学键的成键本质。更多还原

【Abstract】 AIM theory is usually used to analyze the nature of bond,binding energy can also be used as a reference.AIM emphasizes in the parameter calculated in AIM program,including Lapalacian,electron energy density and electron density.The relationship between these parameters is used to characterize the chemical bonds.Binding energy is based on the bonding energy during the complexation to distinguish the bonds.更多还原