无机化合物红外和拉曼光谱振动频率与元素价态电负性关系的一种新的表达式

A New Expression of the Relation of Vibration Frequencies of IR and RAMAN Spectrum for Inorganic Compounds to the Electronegativities of Elements in Valence

本文对化合物红外和拉曼光谱的振动频率与元素电负性之间的各种经验关系进行了概述,并对74个化合物建立了振动频率与元素价态电负性之间的经验关系的一种新表达式,其计算值与文献之间平均相对误差为0.60%,结果表明,元素价态电负性比较合理堪反映了元素在给定价态下振动光谱的性质。

Many empirical equations, the vibration frequencies of IR and Ramam for inorganic compouds with electronegativities, have been studied, By using the electronegativities of elements in valence states, a new expression, relating the vibrational freqeuncies to the electronegtivities of elements in valence, has been introduced. Calculations of vibrational frequencies consist perfectly with experimental values. Average relative errors are <0.60%. The results show that electronegativities of elements in valence justifiably reveal the Spectral properties of the elements.