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For a diatomic molecule, an MO diagram effectively shows the energetics of the bond between the two atoms, whose AO unbonded energies are shown on the sides. For simple polyatomic molecules with a "central atom" such as methane (CH 4) or carbon dioxide (CO 2), a MO diagram may show one of the identical bonds to the central atom. For other ...
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The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.
The MO diagram for dihydrogen. In the classic example of the H 2 MO, the two separate H atoms have identical atomic orbitals. When creating the molecule dihydrogen, the individual valence orbitals, 1s, either: merge in phase to get bonding orbitals, where the electron density is in between the nuclei of the atoms; or, merge out of phase to get antibonding orbitals, where the electron density ...
Walsh diagrams in conjunction with molecular orbital theory can also be used as a tool to predict reactivity. By generating a Walsh Diagram and then determining the HOMO/LUMO of that molecule, it can be determined how the molecule is likely to react. In the following example, the Lewis acidity of AH 3 molecules such as BH 3 and CH 3 + is predicted.
The molecular orbital diagram for the final state describes the electronic nature of the molecule in an excited state. Although in MO theory some molecular orbitals may hold electrons that are more localized between specific pairs of molecular atoms, other orbitals may hold electrons that are spread more uniformly over the molecule.
The six CO ligands are terminal and the Mo-Mo bond distance is 3.2325 Å. [2] The compound is prepared by treatment of molybdenum hexacarbonyl with sodium cyclopentadienide followed by oxidation of the resulting NaMo(CO) 3 (C 5 H 5). [3] Other methods have been developed starting with Mo(CO) 3 (CH 3 CN) 3 instead of Mo(CO) 6. [4]
Stereochemistry demands special attention because three-dimensionality is the most difficult part of a structure to visualize. Techniques for presenting 3-dimensional structures reflect the tastes of the artist. Three dimensionality is best highlighted by the depictions of bonds, using wedges, bolding, and hashed formats.