Valence shell electron pair repulsions and the Pauli exclusion principle

1978 ◽  
Vol 100 (20) ◽  
pp. 6333-6338 ◽  
Author(s):  
Michael B. Hall
Keyword(s):  
Electron Pair ◽  
Pauli Exclusion Principle ◽  
Exclusion Principle ◽  
Valence Shell ◽  
Shell Electron

scholarly journals Valence‐Shell Electron‐Pair Repulsion Theory Revisited: An Explanation for Core Polarization

2019 ◽  
Vol 25 (46) ◽  
pp. 10938-10945 ◽  
Author(s):  
Julen Munárriz ◽  
Mónica Calatayud ◽  
Julia Contreras‐García
Keyword(s):  
Electron Pair ◽  
Valence Shell ◽  
Core Polarization ◽  
Shell Electron

A CRITIQUE OF PAULI REPULSIONS AND MOLECULAR GEOMETRY

1966 ◽  
Vol 44 (10) ◽  
pp. 1131-1145 ◽  
Author(s):  
R. F. W. Bader ◽  
H. J. T. Preston
Keyword(s):  
Polyatomic Molecule ◽  
Electron Density Distribution ◽  
Electron Pair ◽  
Three Dimensional ◽  
Molecular Geometry ◽  
Theoretical Method ◽  
Pauli Exclusion Principle ◽  
Pauli Principle ◽  
Exclusion Principle ◽  
Binding Region

A theoretical method, which allows one to determine the effect of the Pauli exclusion principle on the electron density distribution, is used to test the concepts underlying the electron pair repulsion theory of molecular geometry. It is shown that pictures of overlapping orbitals frequently do not correspond to the actual effect which the Pauli principle has on the three-dimensional charge density. An alternative electrostatic approach, involving the concept of a binding region for a polyatomic molecule, is proposed to account for the observed molecular geometries.

The role of non-bonding electron pairs in the asymmetric coordination environments of 1,1-dithiolate complexes

1976 ◽  
Vol 29 (11) ◽  
pp. 2541 ◽  
Author(s):  
BF Hoskins ◽  
CD Pannan
Keyword(s):  
Electron Pair ◽  
Central Atom ◽  
Main Group ◽  
Valence Shell ◽  
Electron Pairs ◽  
Shell Electron ◽  
Dithiolate Complexes ◽  
Asymmetric Coordination ◽  
Bonding Electron

Various forms of asymmetry in the lengths of the bond between the central atom and sulphur, found in differing coordination environments of 1,1-dithiolate compounds involving main group atoms, have been successfully rationalized by considering both the valence shell electron pair repulsion theory and the effect of the restricted ligand bite distance.

Investigation of the basis of the valence shell electron pair repulsion model by ab initio calculation of geometry variations in a series of tetrahedral and related molecules

1979 ◽  
Vol 101 (8) ◽  
pp. 2002-2010 ◽  
Author(s):  
Ann Schmiedekamp ◽  
D. W. J. Cruickshank ◽  
Steen Skaarup ◽  
Peter Pulay ◽  
Istvan Hargittai ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Electron Pair ◽  
Valence Shell ◽  
Shell Electron
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