Practice problems-1

Q. 1 (a) The organic molecule benzene has a cyclic structure. The t-electrons in the cyclic
molecule can be approximated using two dimensional rotational motion. Calculated the diameter
of the electron ring if we assume that a transition is occuring at 260 nm, corresponding to a
transition from m = 3 to 4.
(b) Answer the following using the radial and angular wavefunctions corresponding to different
quantum numbers given below.
n l m R(r) O(u) u(|)
1 0 0
2
2 / 3
0
1
2
µ
÷
|
|
.
|

\
|
e
a

2
1

t 2
1

2 0 0
2
2 / 3
0
2
1
2
1
2
µ
µ
÷
|
.
|

\
|
÷
|
|
.
|

\
|
e
a

2
1

t 2
1

2 1 0
2
2 / 1
3
0
24
1
µ
÷
|
|
.
|

\
|
e
a

0 cos
2
3

t 2
1

2 1 ±1
2
2 / 1
3
0
24
1
µ
÷
|
|
.
|

\
|
e
a

0 sin
4
3

|
t
i
e
±
2
1

Where, µ = r/a
0
and a
0
is Bohr radius.
(i) Write the complete wavefunction for 2p
z
orbital.
(ii) How many radial and angular node(s) exist in this wavefunction?
(iii) What is orbital angular momentum of an electron in this orbital?
Q2. (a) Give all the possible term symbols for Br[Ar]3d
10
4p
5
and write the lowest energy term
symbol?
(b) One of the MO of a diatomic molecule is given by
ψ = c
1
ψ
1s(A)
+c
2
ψ
2s(B)
+c
3
ψ
2p
z
(B)

Given that electron spends 67.0%, 21.6% and 11.4% of its time in the orbital ψ
1s(A) ,
ψ
2s(B) and
ψ
2 p
z
(B)
respectively. Determine the form of lowest energy wavefunction ψ
MO.

(c) Show that sp
2
hybridized orbitals h
1
= s + 2
1/2
p
y
ans h
2
=
y x
p p s
2
1
2
3
÷ ÷ , where s, p
x
and
p
y
orbitals are each normalized to 1.

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