A New Expression of the Relation of Vibration Frequencies of IR and RAMAN Spectrum for Inorganic Compounds to the Electronegativities of Elements in Valence
JOURNAL OF CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY
Xu Xiaolong, Liu Qingliang
(Department of Applied Chemistry)
Abstracts Maney empirical equations，the vibration frequencies of IR and Ramam for inorganic compounds with electronegativities，have been studied，By using the electronegativities of elements in valence states，a new expression，relating the vibration frequencies to the electronegtivities of elements in valence ，has been introduced. Calculations of vibration frequencies consist perfectly with experiment values．Average 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 , 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) :
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.