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
Function | Equation |
---|---|
Radial wave function, R5g | = (1/900√70) × ρ4 × Z3/2 × e-ρ/2 |
Angular wave functions: | |
Y5gz4 | = √(9/64) × (35z4 - 30z2r2 + 3r4)/r4 × (1/4π)1/2 |
Y5gz3y | = √(45/8) × yz(7z2 - 3r2)/r4 × (1/4π)1/2 |
Y5gz3x | = √(45/8) × xz(7z2 - 3r2)/r4 × (1/4π)1/2 |
Y5gz2xy | = √(45/16) × 2xy(7z2 - r2)/r4 × (1/4π)1/2 |
Y5gz2(x2 - y2) | = √(45/16) × (x2-y2)(7z2 - r2)/r4 × (1/4π)1/2 |
Y5gzy3 | = √(315/8) × yz(3x2 - y2)/r4 × (1/4π)1/2 |
Y5gzx3 | = √(315/8) × xz(x2 - 3y2)/r4 × (1/4π)1/2 |
Y5gxy(x2-y2) | = √(315/64) × 4xy(x2 - y2)/r4 × (1/4π)1/2 |
Y5g(x4 + y4) | = √(315/64) × (x4 + y4 - 6x2y2)/r4 × (1/4π)1/2 |
Wave functions: | |
ψ5gz4 | = R5g × Y5gz4 |
ψ5gz3y | = R5g × Y5gz3y |
ψ5gz3x | = R5g × Y5gz3x |
ψ5gz2xy | = R5g × Y5gz2xy |
ψ5gz2(x2 - y2) | = R5g × Y5gz2(x2 - y2) |
ψ5gzy3 | = R5g × Y5gzy3 |
ψ5gzx3 | = R5g × Y5gzx3 |
ψ5gxy(x2-y2) | = R5g × Y5gxy(x2-y2) |
ψ5g(x4 + y4) | = R5g × Y5g(x4 + y4) |
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.
The OrbitronTM, a gallery of orbitals on the WWW: https://winter.group.shef.ac.uk/orbitron/
Copyright 2002-2023 Prof. Mark Winter [The University of Sheffield]. All rights reserved.