Molecular orbital diagrams polyatomic molecules

Calculations on triatomic molecules, because of their theoretical and experimental significance, will be mentioned below in some detail. Herzberg s Polyatomics [6] gives diagrams of the correlation of orbitals between large and small internuclear distances in linear AH2 molecules and in linear ABa molecules [6]. Walsh, in a classic series of papers [97], gave correlations of molecular orbitals between linear and bent AH2 molecules and linear and... 

F 2p character than F 2s character and is also bonding with respect to the FI orbital. This set of orbitals (2cr, 3a) illustrates a central feature of the MO approach. Whereas a simple Lewis structure or valence picture would draw a localized electron pair interaction between two orbitals, the MO picture attributes some bonding character to two separate molecular orbitals. This simple MO diagram illustrates the difficulty of determining a meaningful definition for bond order in a polyatomic molecule. No single MO completely represents the bonding between two atoms. 

Molecular orbital energy-level diagrams similar to those for diatomic molecules can be constructed for polyatomic molecules. 

Draw simple molecular orbital energy-level diagrams for diatomic molecules and simple polyatomic molecules. (Questions 4.1, 4.2, 4.4,4.5, 4.7-4.9 and 5.4)... 

Chapter 4. Formation and Deformation of Polyatomic Molecules 4.1.1 Molecular Orbitals and Walsh Diagrams... 

With the aid of computers, molecular orbital theory can be applied to polyatomic molecules and ions, yielding results that correlate very well with experimental measurements. These applications are beyond the scope of this text. However, the delocalization of electrons over an entire molecule is an important contribution of molecular orbital theory to our basic understanding of chemical bonding. For example, consider the Lewis structure and valence bond diagram of ozone ... 

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