Assignment 3 Solution

The document contains the solutions to 13 questions regarding nuclear magnetic resonance spectroscopy. It includes calculations of resonance frequencies, magnetic field strengths, rotational constants, and energy differences between energy levels. It also determines the number of expected resonance lines for different nuclei based on their nuclear spin quantum numbers.

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Assignment 3 Solution

Uploaded by

Karthik Pallavali

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Model Solution Assignment-3

Q1. Jmax = (kT/2Bhc)1/2 -1/2 when B is in cm-1

= [(1.38065x10-23 JK-1) x (300 K)/2 x 1.44 cm-1x 6.626 x 10-34 Js x 3 x 1010 cm s-1]1/2
= 8.5 0.5 = 8
Therefore, the energy of level corresponding to J = 8 is hBcJ(J+1)
= 6.626 x 10-34 Js x 1.44 cm-1x 3 x 1010 cm s-1x8x9
= 2.061x10-21J
Q2. Consider that the rotational constants for the 12C16O and 13C16O are B and B, respectively.
2B = 3.84235 cm1
B = 1.92118 cm1
Similarly, 2B = 3.67337 cm1
B = 1.83669 cm1
B/B = (h/82Ic) x (82Ic/h) = I/I = / = 1.046
/ = 1.046 = (15.9994 m/15.9994 + m) x (12.011 + 15.9994 / 12.011 x 15.9994)
Hence m = 13.0128
Q3. 8B = 93.6 GHz; B = 11.7 GHz
B = h/82I
I = 2moR2 ( where mo = mass of oxygen atom and R = CO bon length)
mo = 15.9994x10-3kg /6.023x1023 = 2.656x10-26kg
R2 = h/82Bx2xmo = 6.626 x 10-34 Js/8x(3.14)2x11.7x109Hzx2x2.656x10-26kg
R2 = 1.352x10-20m2
Therefore, R = 1.16x10-10m = 116 pm
Q4. Energy difference between two adjacent lines = 4hB
Therefore, enegy difference between two line corresponding to the transition from J = 4 and J =2
would be equal to 8hB
E = 8hB
Reduced mass, = 1.67x10-27x5.81x10-26/(1.67x10-27 + 5.81x10-26) = 1.61x10-27kg
I = R2 = 1.61x10-27kgx(129x10-12m)2 = 2.68x10-47kgm2
B = h/82I = 6.626 x 10-34 Js/8x(3.14)2x2.68x10-47kgm2
= 3.13x1011s-1
Therefore, E = 8hB = 8x6.626 x 10-34 Jsx3.13x1011s-1 = 1.659x10-21J
Q5. Reduced mass of the H2 molecule is = mH/2 = (1.673 x 1027 kg)/2 = 8.365 x 1028 kg.
B = h/82Ic = h/82r2c
= (6.626 x 1034 Js) / 8 x (3.14)2 x (8.365 x 1028 kg) x (0.07417 x 109 m)2 x (3 x 108 ms1)

= 6085 m1 = 60.85 cm1

So the first three Stokes lines are at = 6B, 10B and 14B
= 365.1 608.5 and 851.9 cm1 lower than the incident radiation.
The first three anti-Stokes lines are at 365.1 608.5 and 851.9 cm1 higher than the incident
radiation.

Q6.
Therefore,

= [OD/OH]1/2 = {[(16x2)/18]x[17/16]}1/2 = 1.3744

= (3300/1.3744) = 2401 cm-1

Q7.

= = 1/2c (k/)1/2

= [1/2 x (3.14) x (3 x 108 ms1)] [1630 Nm-1/ (1.07 x 1026 kg)]1/2

= 2.07 x 105 m-1
= 2.07 x 103 cm-1
B = h/82Ic = h/82cre2
= (6.626 x 1034 Js) / 8 x (3.14)2 x (3 x 108 ms1) x (1.07 x 1026kg) x (117 x 1012 m)2
= 191 m1 = 1.91 cm1
Hence 2 B
= 3.82 cm1
The P branch transition with J = -1 will have J = [2070-3.82J] cm-1, J=1,2,3.
The R branch transition with J = +1 will have J = [2070+3.82(J+1)] cm-1, J=0,1,2.
There will be no Q branch transition i.e. no line at = 2070 cm-1. The separation between
neighboring lines in the P and R branches will be 2B = 3.82 cm-1.
Q. 8 Number of lines = (2naIa+1) (2nbIb+1)

a) 6

b) 6

= 9.724 10-24 J/T

Q. 9 Given that res = 9.81 GHz, ge = 2.0023

=
Q. 10 Given that res = 30.98 MHz, B = 7730 Gauss

gN = 5.2567

c) 8

=
Q. 11 Given that res = 400 MHz, gN = 1.405 N = 5.051 10-27 J/T

=
Q. 12 Number of lines = (2nI+1)
For 55Mn I = 5/2
so number of lines = 6
13
For C
I = 1/2
so number of lines = 2
15
For N I = 1/2
so number of lines = 2
35
For Cl I = 3/2
so number of lines = 4
2
For H
I=1
so number of lines = 3
55
Therefore, radical A contains Mn and radical B contains 35Cl
Q. 13
1.14 (d), 21.6