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Symmetry of MO's (Read 1677 times)
Gerrit-Jan Linker
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Symmetry of MO's
10.06.09 at 21:31:58
 
Symmetry of MO's
 
Pi (π) molecular orbitals being antisymmetric with respect to a defining plane containing at least one atom. In the case of two-centre bonds, a π bond has a nodal plane that includes the internuclear bond axis.
 
Sigma (σ) molecular orbitals are symmetric with respect to a defining plane containing at least one atom. In the case of two-centre bonds, a σ bond has no such nodal plane.
 
A MO that has cyllindrical symmetry around the internuclear axis is a σ orbital. For example wavefunction of the H2+ ion can be constructed as ψ = ψ1s(A) + ψqs(B). Such an orbital is denoted as a 1sσ orbital as the σ orbital originates from 1s orbitals. The anti-bonding combination ψ = ψ1s(A) - ψqs(B) is denotes as 1sσ*.
 
Sources:
http://www.chemicool.com/definition/sigma_pi.html
http://goldbook.iupac.org/O04320.html
Atkins Physical chemistry
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« Last Edit: 02.04.11 at 20:56:34 by Gerrit-Jan Linker »  

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