Equations

Question 1

Schrodinger equation.

Answer 1

Hwavefunction = E wavefunction

Question 2

Reduced mass of a single molecule.

Answer 2

1.66x10-27 kg

Question 3

Moment of inertia.

Answer 3

I = uro2
I: values tend to be 10-45 - 10-46 kgm2

u = m1m2/m1+m2 x 1.66x10-27

Question 4

Rotational constant.

Answer 4

B = h/8pi2I

B:Hz

Question 5

Rotational energy levels.

Answer 5

Ej = hBJ(J+1)

Question 6

Correction for non-rigid rotors.

Answer 6

Ej = hBJ(J+1) - DJ2(J+1)2

Question 7

Change in energy separation.

Answer 7

∆E = (hgammaBo)/2pi = hv

Question 8

Shielding.

Answer 8

v= (gammaBo)/2pi (1 - o)

Question 9

Scale of chemical shift.

Answer 9

§(ppm) = (10^6 Vres-Vref)/Vref

Question 10

Beer-Lambert Law.

Answer 10

A = -log(It/Io) = ecl

e: molar absorption coefficient mol-1dm3cm-1
c: concentration moldm-3
l: path length cm
I: length of sample container

Question 11

e values.

Answer 11

e < 1 forbidden
e 10-100 weakly allowed
e > 500 strongly allowed

Question 12

Transmittance and absorbance.

Answer 12

T = It/Io
T = 10-A
A = -logT

Question 13

Draw the conversion flow chart.

Answer 13

see notes

Question 14

Bond order.

Answer 14

1/2 (no. bonding electrons - no. antibonding electrons)

Question 15

Specific selection rule.

Answer 15

∆v = +-1

Question 16

Dipole moment.

Answer 16

u = qr

Units: coloumb meter

Question 17

Frequency of oscillation.

Answer 17

v = 1/2pi *square root kf/u

kf: force constant Nm-1
u: reduced mass

Question 18

Vibrational energy levels.

Answer 18

Ev = (v, + 1/2) hv

v,: vibrational quantum number +ve integer values
v: frequency of oscillation

Question 19

Degrees of freedom.

Answer 19

no. molecules x 3