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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 ...
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.
MO diagram showing the formation of molecular orbitals of H 2 (centre) from atomic orbitals of two H atoms. The lower-energy MO is bonding with electron density concentrated between the two H nuclei. The higher-energy MO is anti-bonding with electron density concentrated behind each H nucleus.
The N 2 chart or N 2 diagram (pronounced "en-two" or "en-squared") is a chart or diagram in the shape of a matrix, representing functional or physical interfaces between system elements. It is used to systematically identify, define, tabulate, design, and analyze functional and physical interfaces.
Transition metal-dinitrogen complexes can contain more than one N 2 as "end-on" ligands, such as mer-[Mo(N 2) 3 (PPr n 2 Ph) 3], which has octahedral geometry. [15] In another example, the dinitrogen ligand in Mo(N 2 ) 2 (Ph 2 PCH 2 CH 2 PPh 2 ) 2 can be reduced to produce ammonia. [ 16 ]
A non-bonding orbital, also known as non-bonding molecular orbital (NBMO), is a molecular orbital whose occupation by electrons neither increases nor decreases the bond order between the involved atoms.
Antibonding orbitals are often labelled with an asterisk (*) on molecular orbital diagrams. In homonuclear diatomic molecules, σ* (sigma star) antibonding orbitals have no nodal planes passing through the two nuclei, like sigma bonds, and π* (pi star) orbitals have one nodal plane passing through the two nuclei, like pi bonds.
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 ...