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Chap2 2 Aufbau+Principle
Chap2 2 Aufbau+Principle
Chap2 2 Aufbau+Principle
In the last lecture, we have learned
(1) Schrödinger equation → to describe the electron wave function
(2) Atomic wave functions
‐ radial distribution function: 4πr2 R(r)2
‐ radial wave function, angular function (Ψn,l,ml = Rn,l(r)Yl,ml(θ,φ))
‐ nodes for radial part and angular part
Topics to be learned
(1) Aufbau Principle
‐ Pauli exclusion principle
‐ Hund’s rule
‐ Effective nuclear charge, Slater’s rule
Bohr energy
En = (‐13.6 /n2) eV Multielectron Atoms
Fourth Quantum Number
No two electrons in an atom can have the same
set of four quantum numbers (n, l, ml, ms)
Wolfgang Pauli (1900‐1958), Austrian physicist who won the Physics Nobel prize for
his idea of the exclusion principle
For your information
Aufbau principle (from the German Aufbau
meaning "building up, construction“): electrons fill
the atomic orbitals from the lowest energy up
Introduction to effective nuclear charge
He, Z=2
2+
For your information
Ionization Energy (IE): energy required to
remove an electron from the gaseous atom
(just Z=2)
the effective nuclear charge
Zeff2 =24.6/13.6
Zeff = ~ 1.34
Estimation of Zeff
Zeff = Z - σ
provide numerical values for the effective
Slater's rules nuclear charge concept
1. The electrons are arranged in to a sequence of groups that keep
s‐and p‐ orbitals with the same principal quantum number
together
[1s] [2s,2p] [3s,3p] [3d] [4s,4p] [4d] [4f] [5s, 5p] [5d] etc.
2. If the electron in an (ns, np) group:
a) Electrons in groups to the right of the (ns, np) group contribute
nothing to σ.
b) Each of the other electrons in the (ns, np) group contributes 0.35
to σ. (i.e., the shielding is 35% effective)
c) Each electron in the n‐1 shell contributes 0.85 to σ.
d) Each electron in the n‐2 shell or below contribute 1.00 to σ
3. If the electron in an (nd) or (nf) group:
a) Electrons in groups to the right of the (nd) or (nf) group
contribute nothing to σ.
b) Each of the other electrons in the (nd) or (nf) group contributes
0.35 to σ.
c) Each electron in groups to the left of the (nd) or (nf) group
contributes 1.00 to σ
provide numerical values for the effective
Slater's rules nuclear charge concept
For Fe, Z=26
(1s2) (2s22p6) (3s23p6) (3d6) (4s2)
For a 3 d electron and a 4 s electron,
estimate effective nuclear charge
* recall, RDF: radial Distribution Function
Calculate Zeff ? Homework!
Atom Zeff[1s] Zeff[2s] Zeff[2p]
H 1.0
He 1.7
Li 2.7 1.3
Be 3.7 1.95
B 4.7 2.6 2.6
C 5.7 3.25 3.25
N 6.7 3.9 3.9
O 7.7 4.55 4.55
F 8.7 5.2 5.2
Ne 9.7 5.85 5.85
Hund’s rule : how to fill electrons in degenerated orbitals
3d
4s 4s
3d
Fe Fe2+
Please see the figure 2‐12 in p 43
Table 2‐7, p38, * elements
For your information
What we have learned