Molecular-orbital theory of organometallic compounds. Part VII. A comparison of the 3d radical wave functions of the first transition series

1966 ◽  
pp. 941 ◽  
Author(s):  
David A. Brown ◽  
Noel J. Fitzpatrick
Keyword(s):  
Molecular Orbital ◽  
Organometallic Compounds ◽  
Wave Functions ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Transition Series

The molecular orbital theory of chemical valency XIV. Paired electrons in the presence of two unlike attracting centres

1953 ◽  
Vol 218 (1134) ◽  
pp. 327-333 ◽  
Keyword(s):  
Perturbation Method ◽  
Molecular Orbital ◽  
Essential Feature ◽  
Formal Solution ◽  
Wave Functions ◽  
The Other ◽  
Molecular Orbital Theory ◽  
Chemical Bonds ◽  
Orbital Theory ◽  
Antisymmetric Part

As a step towards an understanding of chemical bonds in diatomic molecules which contain unlike atoms, a theory of paired electrons in the presence of two unlike attractive centres has been worked out. The essential feature of the method is that the field of these centres is expressed as a sum of two fields, one of which is symmetrical and the other antisymmetrical in the plane midway between the two centres. A formal solution having been provided in earlier papers for the wave functions and energies of two electrons in the symmetrical part of the field, this is used as a basis for a perturbation method to calculate the effect of the antisymmetric part of the field.

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