CHEM1901 Molecular Structure Tutorial 2

1. Calculate the relative number of molecules in the J = 1 and J = 2 rotational states of HCl
at 27 C. (I = 2.643 x 10
-47
kg m
2
).

(Ans: n
2
/n
1
= 1.36)


2. Calculate the ratio of the number of molecules of (a)
1
H
35
Cl, (b)
127
I
2
in vibrational state
v = 1 to the ground state at 25 C. The energy spacing are 2890 cm
-1
and 213 cm
-1
,
respectively.

(Ans: (a) n
1
/n
o
= 9 x 10
-7
, (b) n
1
/n
o
= 357 x 10
-3
)


3. Calculate the ratio of number of molecules in a sample of HI at (a) 300 K and (b) 1000 K,
having rotational quantum numbers J = 5 and J = 0. (I = 4.31 x 10
-47
kg m
2
).

(Ans: (a) n
5
/n
o
= 4.34, (b) n
5
/n
o
= 8.32)


4. The rotational spectrum of HF has lines 41.9 cm
-1
apart. Each line corresponds to a
transition between adjacent rotational energy levels. Calculate the moment of inertia, and
hence, the bond length of the molecule. (M
H
= 1.008 amu; M
F
= 18.998 amu)

(Ans: 1.34 x 10
-42
kg m
2
; R = 9.16 x 10
-11
m).


5. Analysis of the vibrational spectrum of
1
H
35
Cl molecule shows that its fundamental
vibrational frequency v
o
is 2989 cm
-1
.

(a) Calculate the force constant (in N m
-1
) for the H-Cl bond)
(b) Comment on the meaning of the calculated value of the force constant.

(Ans: k = 5.13 x 10
2
).