Perfect Relationship of IR and Raman Spectra with Zhang Electronegativity

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



Jun.1991, 21No.2


Xu Xiaolong, Liu Qingliang

(Department of Applied Chemistry)


Abstracts Maney empirical equationsthe vibration frequencies of IR and Ramam for inorganic compounds with electronegativitieshave been studiedBy using the electronegativities of elements in valence statesa new expressionrelating the vibration frequencies to the electronegtivities of elements in valence has been introduced. Calculations of vibration frequencies consist perfectly with experiment valuesAverage relative errors are < 0.60% The results show that electronegatvities of elements in valence justifiably reveal the Spectral properties of the elements


    In 1982, Zhang [8], proposed  a new electronegativity in valence states, with  the effective principal quantum number by n' data (the theory was later developed into the weakest bound electron potential model theory) [9]:

Xz = 0.241n*(Iz /R)rc-2 + 0.775

When using Zhang electronegativity (Xz), we found a better expression of the relationship between the  electronegativities in valence states and the vibration frequencies of the compounds of elements.


Write a comment

Comments: 0