Ionocovalent Model Methodology

Yonghe Zhang

American Huilin Institute http://www.amhuilin.net/ 

 

Ionocovalency model (IC) includes quantum parameters, sub-models and dual parameter groups,  we can calculate  all  electron configuration data from 1s to nf, from it:  

IC = n*(Iav /R)½ rc-1

or in some cases by using the ultimate ionization energy Iz instead of Iav, we can get more valuable results:  

IC = n*(Iz /R)½ rc-1 

and we can explain almost all chemical phenomena from IC model:

  IC (Iz , rc , n*, Iav , rc-1, n*rc-1, Z*) = I ( Iz )C(n*rc-1) = n*(Iav/R)½ rc-1

 where

Ultimate ionization energy: Iz,   from spectroscopy

Covalent radius: rc  from X-ray diffraction

Effective principal quantum number:

n* = n* 0.85, 1.99, 2.89, 3.45, 3.85, 4.36, 4.99.

Ionicity: Iav= n-1ni=1 Ii

Covalency: rc-1

Special covalency: n*rc-1

Effective nuclear charge: Z* = n*( Iz /R)½

IC-potential:  n*(Iav/R)½ rc-1

IC model: I ( Iz )C(n*rc-1) = n*(Iav/R)½ rc-1

Dual Method:

IC (Iz , rc , n*, Iav , rc-1, n*rc-1, Z*) = I ( Iz )C(n*rc-1) = n*(Iav/R)½ rc-1

 

Above all data of chemical elements you can get from Ionocovalent Bond Parameters, Functions and Scalesor Table 1 and Chart 1: Download PDF Full-Text

Zhang, Y. Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales. Int. J. Mol. Sci. 2010,11, 4381-4406

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