Maybe this is just not included in my course, but I still wonder how to calculate the binding energy of an electron .at a certain electron orbital.

Intuitively,The ionization energy of an element should vary depending on which orbital the valence electron is in.

PS: I only know how to calculate ionization energy using principle level.

  • $\begingroup$ I think we'd need to know what course you're taking. This can be determined from quantum mechanics, but in general the numbers are tabulated because the equations get extremely complicated. $\endgroup$ – Geoff Hutchison Nov 23 '14 at 1:20
  • $\begingroup$ High school general Chem $\endgroup$ – most venerable sir Nov 23 '14 at 1:21

You are correct that the ionization energy of an electron depends on the orbital. There is no easy formula, because the electrons in atoms are governed by quantum mechanics and for multi-electron atoms, the equations are un-solvable algebraically.

That said, there are some reasonable tabulations, which have been verified by calculations and by spectroscopy, e.g., http://www.colby.edu/chemistry/PChem/notes/AOIE.pdf (from a quick Google search).

Both ultraviolet photoelectron spectroscopy and x-ray photoelectron spectroscopy can be used to eject electrons from various materials, and you can thus identify elemental composition (and other properties) from the known orbital energy levels

  • $\begingroup$ What is name of the name of the equation and why proposed it? $\endgroup$ – most venerable sir Nov 23 '14 at 1:28
  • 2
    $\begingroup$ If you'd like to read more about quantum mechanics you would want to read about the Schrödinger model of the hydrogen atom. But it helps to have some familiarity with differential equations first. $\endgroup$ – Geoff Hutchison Nov 23 '14 at 1:30

I just stumbled across this question ... a little late....

A common approximation in XPS to solve this question is Koopmans theorem (frozen-orbital approximation). If the remaining (those were not photo-electron was removed) orbitals of the exited atom after photo-ionisation do not change between the initial and final state (no relaxation) the experimental binding energies are than taken to be equal to the respective negative Hartree-Fock/KS orbital energy. A good way to start reading is this Book: Book See also: Link Link2


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