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Free 3d ion spin and orbital configuration

In the following table we list the isolated ion ground state, according to Hund rules, for the 3d transition metals. The legend is the following:

  • The first row shows the valence electron configuration of the ion, written as nxi, where n is the principal quantum number (3), x follows the standard spectroscopical classification (s, p, d, f, g ...) and the superscript i indicates how many valence electrons are present.
  • The second row shows the angular momentum classification, where the alphabetical symbol reproduces the standard spectroscopical classification (S, P, D, F, G,..) for the total orbital angular momentum, the left superscript is the spin multiplicity, which is a function of the total spin, and the right subscript is the total angular momentum.
  • The third row gives explicitly the total spin angular momentum.

 

{$ 3d^1 $}

{$ 3d^2 $}

{$ 3d^3 $}

{$ 3d^4 $}

{$ 3d^5 $}

{$ 3d^6 $}

{$ 3d^7 $}

{$ 3d^8 $}

{$ 3d^9 $}

 










{$ ^{2S+1}X_{J} $}

{$ ^2D_{3/2} $}

{$ ^3F_2 $}

{$ ^4F_{3/2} $}

{$ ^5D_0 $}

{$ ^6S_{5/2} $}

{$ ^5D_4 $}

{$ ^4F_{9/2} $}

{$ ^3F_4 $}

{$ ^2D_{5/2} $}

 










\ S

{$ \frac 1 2 $}

{$ 1 $}

{$ \frac 3 2 $}

{$ 2 $}

{$ \frac 5 2 $}

{$ 2 $}

{$ \frac 3 2 $}

{$ 1 $}

{$ \frac 1 2 $}

    \










Ion \

{$ \uparrow $}

{$ \uparrow\uparrow $}

{$ \uparrow\uparrow\uparrow $}

{$ \uparrow\uparrow\uparrow\uparrow $}

{$ \uparrow\uparrow\uparrow\uparrow\uparrow $}

{$ \uparrow\downarrow\uparrow\uparrow\uparrow\uparrow $}

{$ \uparrow\downarrow\uparrow\downarrow\uparrow\uparrow\uparrow $}

{$ \uparrow\downarrow\uparrow\downarrow\uparrow\downarrow\uparrow\uparrow $}

{$ \uparrow\downarrow\uparrow\downarrow\uparrow\downarrow\uparrow\downarrow\uparrow $}

 










Ti

3+

 

 

 

 

 

 

 

 

 










V

4+

3+

2+

 

 

 

 

 

 

 










Cr

 

4+

3+

2+

 

 

 

 

 

 










Mn

 

 

4+

3+

2+

 

 

 

 

 










Fe

 

 

 

 

3+

2+

 

 

 

 










Co

 

 

 

 

 

3+

2+

 

 

 










Ni

 

 

 

 

 

 

 

2+

 

 










Cu

 

 

 

 

 

 

 

 

2+

There are numerous compounds in which Co3+ is present in states which do not obey the Hund rule: the Hund state is the high spin (HS) state with S=2 {$(\uparrow\downarrow\uparrow\uparrow\uparrow\uparrow)$}, but other two states exits, the intermediate spin (IS) state with S=1 {$ (\uparrow\downarrow\uparrow\downarrow\uparrow\uparrow)$}, and the low spin (LS) state with S=0 {$(\uparrow\downarrow\uparrow\downarrow\uparrow\downarrow)$}.


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Page last modified on April 28, 2009, at 10:29 PM