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Examination Question Paper
Semester 1, 2023-24
Semester 2023-24
CHEM30077
CHEM300
(1)
Physical Chemistry II
Physical!
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HONG KONG
KONG BAPTIST UNIVERSITY Page: 1
SEMESTER EXAMINATION, 2023-2024
SEMESTER 1 EXAMINATION, 2023-2024
‘. ., CHEM3007/ 00001 2
00001
Course Code:
Code: CHEM3057
CI-IEM3057 Section
Section Number: ' Time
Time Allowed:
Allowed: Hour(s)
Course Title: PhYSical
Physical Chemistry II Total No.
No. of Pages: 6
Total number of marks is 100.
Total-
pre-programmed calculator
No pre-programmed calculator is allowed.
. No calculator with text memory is allowed.
' Answer flALL questions.
Use separate answer
Use answer books and B.
books for Sections A and
Section A (70 marks)
marks)
1.
1. of this Question
All parts of question are independent.
(a)
(a) Give five'
Give five' auxiliary conditions that a well-behaved
conditions-that wavefunction of a quantum
well-behaved wavefunction quantum
system must satisfy. ‘,
(5 marks)
(b) Describe how a quantum simple-harmonic oscillator (SHO) approaches its classical
analogue based
analogue based on probabilitydensity;
probabilitydensity;
§)hv0
ED # (u + %)hvo
Given: The energy level of quantum SHO is Ev
' ,' 'l ,I ' marks)-
(5 marks)‘
(0)
(C) The lowest energy,
energy of a quantum SHO is not zero but equal to §hv0.
ghvo. Explain in ~-
' terms of the
the “Heisenberg Uncertainty Principle”
“Heisenberg Uncertainty and momentum;
Principle” of position and momentum;
(5 marks)
'- ~, HONG
IIONG KONG
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SEMESTER 11 EXAMINATION,
SEMESTER EXAMINATION, 2023-2024
2023-2024
CHEM3007/
CHEM3007/ 00001
Course Code:
Course Code: CHEM3057
CI-IEM3057 Section Number:
Section Number: 00001
- Time Allowed:
Allowed: 2 Hour(s)
Physical Chemistry
Physical Chemistry II Total
Course Title: ‘ Total No.
No. ofPages:
of Pages: 6
22 (a)
(a) Write out the time-independent Schrodinger Equation for a mass (m) of a constant
potential UO in a 1D particle—in-a—box
potential U0 particle-in—a—box (PIB) model of llengtha
e n g t h“a ” along the x-axis.
Give the Hamiltonian
Give Hamiltonian operator explicitly
explicitly in terms of differentiation. Sketch the
energy diagram of
energy of the model.
model. '
hd
,_ Given: fix = 7;
=25; where'i.=\/-—1andh=h/27t.‘
where'i.=«/:Tandh=h/27r..
,. z
‘. (5 markS)
marks)
(b)' If Uo
U0 =
= 0 , show
show that ([1,,(x)
1/1" (x) = J 2 / a sin
\12 fl x fulfils
sinn—fl-x Schrodinger Equation you ,.
fulfils the Schriidinger
., a .
2 2
given in (a) above when the eigenvalue E”
E, = 2 (n=quantfimno.=1,2,3,...)
( n = quantum no. =1,2,3,...)
‘' (5 marks)
(0)
(C) Give one value
Give value of x when
When [W5 is at a maximum
[1/16 (x)]2 1s maximum (assume x running from 0 to a).
(assume it
' (2 marks)
(d) Without proofing, wn'te
write out the eigenfunction and eigenvalue
eigenvalue of a 3D PIB model
based on the 1D case
case above.
above.
(3 marks)
(e) Foraa cubic
For What is the degeneracy of the (3,3,3) quantum state [i.e., the
cubic 3D PIB, what
number of distinct
distinct states having
having the same
same energy
energy as the (3,3,3)
(3,3,3) state]?
state]? Briefly show
Briefly Show
. your reasoning.
(5 marks)
(f) For a cubic 3D PIB of size 10cmin
100m in each dimension, determine the quantum
number (assuming nx
71,, = ny = nz = n )) of a particle of the mass of a carbon monoxide
molecule (4.651x10‘26
(4.651x 10'26 kg) corresponding to an eigénvalue
eigenvalue energy of 6;2x10‘21J
energy'of 6l2x10'21J .
Comment on your result.
Given: h = 6.626x10'3‘Js
6.626’x10'34Js
(5 marks)
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EXAMINATION, 2023-2024
SEMESTER 1 EXANIINATION,
CHEM3007/
CI-IEM3007/ 00001 '
Course Code:
Course Code: CI-IEM3057
CHEM3057 Section Number:
Section Number: 00001 Time Allowed: 2 Hour(s)
Course Title: 1 PhYSical Chemistry IIH
Physical Chemistry Total No.
Total No. of
of Pages:
Pages:
6
6
3. (a) Using
Using the Molecular Orbital (MO) concept, write Out the electron configurations
out the configurations
NO and
for NO and NO+. the stronger
species-has the
NO“. Explain briefly which species-has stronger bond;
‘' ' ‘- (10 marks)
(b) What will be your answer to (a) above if one valence HOMO electron is taken
(b) '
away from
fiom each of the speciw?
species?
(2 marks)
4. (a) Write. Hfickel MO (HMO)
according to the Hfickel
Write, out the secular determinant of butadiene according
theory
theory of the valence 7t
7r electrons'in
electronsin terms of the HMO parameters fl. What
paratheters a and ,6.
assumptions in
are the assumptions in' the theory? What
What is the physical meaning
meaning of each
parameter?
(10 marks)
marks)
..(b)
(b) Is the secfilar
secular determinant of cyclo-butadiene different from the linear one?
Why? ’' ,.
(3 marks)
The HMO energies for the four relevant MOS of the valence 7r electrons of
butadiene are a(xi-162,6 a+
i1.62,8 and a -iO.62,B.
0.62,6. Explain why the delocalization of the two
C-C double
double bonds
bonds 1n
in butadiene isolated
extra stability comparing with two isolated
butadiene gives extra
non-interacting C— C double bonds.
C-C bonds. Estimate this extra stability. Sketch simple MO
extra stability.
energy-level diagram(s) to illustrate answer.
illustrate your answer.
Given:
Given: For an isolated C-C double bond, the HMO
double bond, 7: orbitals are
HMO energies of its 7r
E,t = a :t-_|- ,B
,6 and the experimental value of ,6
,3 z -—75
—75 kJ/mbl.
kJ/mol.
(5 marks)
(5
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SEMESTER 1 EXAMINATION, 2023-2024
- CHEM3007/ 00001 2
Course Code:
Course CHEM3057
CHEM3057 Section Number: . Allowed:
Time Allowed: Hour(s)
How-(S)
Course Title: ,
Course Physical
Physical Chemistry II
Chemistry 11 g Total
Total No. of Pages:
Pages: 6
Section B (30 marks)
5. (a) the symmetry
Identify the symmetry elements
elements and
and the
the point groups
groups of the
the following
following isomers:
isomers: VI
- ’' ._ -~ (15 marks)
(1) H 0:
CI (ii) CI
Cl '‘ CI I
Cl (”1) Cl
(“1) H
' H
H~ Cl H H ' ,H
H Cl
CI
(b) A general
general formula
formula foi'
for the
the relationship
relationship between
between interplanar
interplanar distance,
distance, dhkz,
dhkl, and
and the
Miller Indice_s
Miller Indices (h, k, l) and
and the lengths of the sides of anorthorhombic crystal crystal with
with
unit cell constants of a qfi
unit cell at: b at c, a(1 =13
= 3 == y = 90°
90° is shown below:
at b ¢4': c, a = B =
(i) For an orthorhombic crystal (a 1: =- y = 90°), the reciprocal unit
A‘l, b* = 0.025 AH,
cell lengths of are a* = 0.050 A'l, A'l, and c* = 0.020 A'l. Calculate
lengths a, b, and
the unit cell lengths and c.
(2 marks)
(ii) Calculate
Calculate the unit cell
cell volume, V. . (2 marks)
marks)
cont’d/..... .
To be cont’d/..
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EXAMINATION, 2023-2024
SEMESTER 1 EXAMINATION, 2023-2024
CHEM3007/
Course Code: CHEM3057 Section Number: 00001 Time Allowed; 2 Hour(s)
Course Title: Physical Chemistry II
H Total No. of Pages: 6
Cont’d.
(iii) Calculate the interplanar distances
distances dt
dhkz for Miller Indices X (h = 2, k = 2, 1l = 2)
Miller‘ Indices
‘. ‘' . (3 marks)
(iv) A. diffiacted X-ray corresponding
(iv) corresponding to the Miller Indices‘
the Miller Indices~ X (2,2,2) with
interplanar spacing (dhkz) from (iii), hits the detector at a location
location that is 41 mm
fiom the crystal. The detectoris
from detector_is located 40'40 m away away from the crystal.
Calculate the diffraCtion
Calculate angle (26)
diffiaCtion angle
(4_marks) I‘
(4'marks)
(v)
(v) What
What is
is the
the wavelength,
Wavelength, x, of the
9», of the X-ray used for
X-ray used for diffractiofi?’
diffraction?‘'
Given Bragg’s Law: .
nk = 2d sine, in this case
n7t taken as 1l
can be taken
case n can
(4 marks)
marks)
-50 m m
Crystal 29
X-ray source
X—ray source
Detector
Distance Detector
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SEMESTER 11 EXAMINATION,
SEMESTER EXAMINATION, 2023-2024
2023-2024
CHEM3007/
CHEM3007/ 00001
00001 2
Course Code:
Course CHEM3057 Section Number:
Section Allowed:
Time Allowed: Hour(s) .
Physical
Phys1cal Chemistry II Total No. ofPages: 6
Course Title: Chemlstry II Total No. of Pages: 6
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Flow chart
Flow chart for the
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determination of point groups. (CC BY-NC-SA; Catherine
(CC BY-NC-SA;
- McCusker) ([Link]
([Link]
—END——
—END-——
