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Ch.
( He ) ( x 1 , y 1 , z1 , x 2 , y 2 , z2 )
For an atom with N electrons
2me
2 2 2 2 2 2
2 2 2 2 2 2 V ( x1 , y1 , z1 , x2 , y2 , z 2 ) E
z1
x2 y2 z 2
x1 y1
potential energy term
2e 2
2e 2
2e 2
V ( x1 , y1 , z1 , x2 , y2 , z 2 )
4 0 r1 4 0 r2 4 0 r12
electron-nuclear attraction
electron-electron repulsion
Orbital approximation
pp
for manyy e- atoms
1 (r1 )2 (r2 )
Hartees self-consistent field (SCF) method for many e(1). Each e- moves in an effective field
created by the nucleus and all the other e-,
and only depends on r.
(2). The effective
(2)
effecti e field for electron i is
obtained by averaging its Coulomb
interactions.
(3). The effective field is spherically
symmetric, no angular dependence
1 (r1 )2 (r2 )
For an atom with N electrons
Multiple e- Atoms
Explain
- atomic size
- ionic
i i radius
di
- ionization energy (IE)
Shielding
Vneff (r )
En , SCF
Z eff (n)e 2
r
[ Z eff (n)]2
n2
n=3 l = 2
n=3
n
3l=1
n=3 l = 0
n=2
2l=0
n=2 l = 1
n=1 l = 0
3
d4
5d
d6
d
2p electrons*
2, 1, +1, +
2, 1, +1,
2, 1, 0, +
2, 1, 0,
2, 1, 1, +
2p electrons
2, 1, +1, +
2, 1, +1,
2, 1, 0, +
2, 1, 0,
2, 1, 1, +
2, 1, 1,
Ex 2-1
Which one has the largest Zeff?
A).
) H (Z=1)
(
)
B).
) H ((Z=1)) C).
) He ((Z=2))
A). H (Z=1)
B). H (Z=1)
C). He (Z=2)
Ex 2-2
Whichh one has
Whi
h the
th largest
l
t atomic
t i size?
i ?
H (z=1), He (z=2), Be (z=4), C (z=6)
A) H
A).
B)
B). He
C)
C). Be
D)
D). C
B). He
C). Be
D). C
Ionic Radius
increases down a group
atom cation
radius decreases
atom anion
radius increases
Ionization Energy
-- Smaller
S ll atoms harder
h d to remove e-- Subsequent ionizations are always
higher (IE2 >> IE1)
Ex 2-3
When an atom loses an electron to become a cation,
cation it
A) Releases energy
B) requires energy
C) depends?
Electron Affinity
Electron Affinity
Ex 2-4
Which one is larger?
A). N3 B). F C). Not enough information
Which one is larger?
A). Fe2+ B). Fe3+ C). Not enough information
Ex 2-5
Which one should have a smaller first ionization energy?
A) O
A).
B)
B). S
C)
C). N
Nott enough
h iinformation
f
ti
Whichh one should
Whi
h ld have
h
a higher
hi h secondd ionization
i i ti energy??
A). Li
B). Be
C). Not enough information