Atomic orbitals: 5g equations
The symbols used in the following are:
- r = radius expressed in atomic units (1 Bohr radius = 52.9 pm)
- π = 3.14159 approximately
- e = 2.71828 approximately
- Z = effective nuclear charge for that orbital in that atom.
- ρ = 2Zr/n where n is the principal quantum number (5 for the 5g orbitals)
- k = various constants
Table of equations for the 5g orbitals.
| Function |
Equation |
| Radial wave function, R5g |
= (1/900√70) × ρ4 × Z3/2 × e-ρ/2 |
| Angular wave functions: |
|
| Y5gz4 |
= k × (35z4 - 30z2r2 + 3r4)/r4 × (1/4π)1/2 |
| Y5gz3x |
= k × xz(4z2 - 3x2 - 3y2)/r4 × (1/4π)1/2 |
| Y5gz3y |
= k × yz(4z2 - 3x2 - 3y2)/r4 × (1/4π)1/2 |
| Y5gz2xy |
= k × xy(6z2 - x2 - y2)/r4 × (1/4π)1/2 |
| Y5gz2(x2 - y2) |
= k × (x2-y2)(6z2 - x2 - y2)/r4 × (1/4π)1/2 |
| Y5gzx3 |
= k × xz(x2 - 3y2)/r4 × (1/4π)1/2 |
| Y5gzy3 |
= k × yz(3x2 - y2)/r4 × (1/4π)1/2 |
| Y5gxy(x2-y2) |
= k × xy(x2 - y2)/r4 × (1/4π)1/2 |
| Y5gx4 + y4 |
= k × (x4 + y4 - 6x2y2)/r4 × (1/4π)1/2 |
| Wave functions: |
|
| ψ5gz4 |
= R5g × Y5gz4 |
| ψ5gz3x |
= R5g × Y5gz3x |
| ψ5gz3y |
= R5g × Y5gz3y |
| ψ5gz2xy |
= R5g × Y5gz2xy |
| ψ5gz2(x2 - y2) |
= R5g × Y5gz2(x2 - y2) |
| ψ5gzx3 |
= R5g × Y5gzx3 |
| ψ5gzy3 |
= R5g × Y5gzy3 |
| Electron density |
= ψ5g2 |
| Radial distribution function |
= r2R5g2 |
The radial equations for all the 5g orbitals are the same. The real angular functions differ for each and these are listed above.
For s-orbitals the radial distribution function is given by 4πr2ψ2, but for non-spherical orbitals (where the orbital angular momentum quantum number l > 0) the expression is as above. See D.F. Shriver and P.W. Atkins, Inorganic Chemistry, 3rd edition, Oxford, 1999, page 15.
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