Summary of Last Lecture

Classical Mechanics
&
Properties of Gases • Uniform Circular Motion

• Angular Momentum

• Moments of Inertia

• Reduced Mass

mark.wallace@chem.ox.ac.uk

Classical Mechanics The wave equation

!2 ∂ 2 ψ
• Translation −
2m ∂x2
+ V ψ = Eψ
∂T ∂2T
• Newton’s laws of motion
∂t
=κ 2
∂x
• Momentum, work &
energy

• Rotation
• Angular momentum
• Moments of inertia

• Vibration
• Simple harmonic motion
 The wave equation • Period, T Sinusoidal waves
The time required to complete a full cycle

• Frequency, f
Y The number of cycles per second (Hz)
Angular frequency, !=2"f

• Amplitude, A
The maximum displacement from equilibrium

x or t • Wavelength, #
Repeat distance of wave

• Velocity of propagation, v
v=f!

ψ(x, t) = f1 (x − vt) + f2 (x + vt) • Angular wavenumber, k

The number of wavelengths in the distance 2"
k= 2" /#.

• Initial phase, !

L
Y

Sinusoidal waves A

As a projection of Uniform Circular Motion

x or t

ψ(x, t) = A sin (kx − ωt + φ)

∂2ψ
= −Ak 2 sin [kx − ωt + φ] = −k 2 ψ(x, t)
∂x2

ψ(x, t) = A sin (kx − ωt + φ)

∂ψ
= −Aω cos (kx − ωt + φ)
∂t
2
∂ ψ
= −Aω 2 sin (kx − ωt + φ) = −ω 2 ψ(x, t)
∂t2
 Simple harmonic motion Simple harmonic motion
Springs & Hooke’s law

• SHM requires a restoring force that is proportional

to the displacement of the system

• e.g., springs, a pendulum, sound waves, molecular

vibrations...

Equations of motion Equations of motion

Harmonic spring Harmonic spring
X 
K
d2 x k
+ x=0
X  dt2 m
K
& KX
d2 x
m = −kx
dt2
& KX

ψ(x, t) = A sin (kx − ωt + φ)

d2 x k
+ x=0
dt2 m
 Equations of motion An example
Harmonic spring Simple pendulum
X 
K
d2 x k
+ x=0
dt2 m
sin θ ≈ θ
& KX
,
Q
L
Boundary conditions Y
A

MG
x or t
!
2π m
T = = 2π
ω k

An example Energy in SHM

Simple pendulum

Potential V(x)
V (t) = 1
2 kx
2
Energy
E
x(t) = A sin (ωt + φ) E
, V (t) = 1
2 kA
2
sin2 (ωt + φ)
Q V K
Kinetic V(x)
0 x
K(t) = 1
2 mv
2

v(t) = Aω cos (ωt + φ) Energy

E
MG K(t) = 2 mA ω cos (ωt +
1 2 2 2 E φ)
K(t) = 2 kA cos (ωt + φ)
1 2 2

V K
Total 0 x t
E = K +V
! "
E = 12 kA2 sin2 (ωt + φ) + cos2 (ωt + φ) = 12 kA2
 An example An example
Molecular vibrations Molecular vibrations

V(r) harmonic

r
real

• Molecular vibration approximated as simple harmonic

m1 m2
motion cm

•x Interestedr purely in vibrational

1
e
x 2 motion, consider
vibration about the centre of mass (CM)

• r to need to use reduced mass again

We’re going

An example An example
Molecular vibrations Molecular vibrations

X 
K d2 x k
+ x=0
dt2 m

& KX
!
2π m
T = = 2π
ω k
An example An example
Molecular vibrations Molecular vibrations of H35Cl

An example
Molecular vibrations of H35Cl

http://hyperphysics.phy-astr.gsu.edu/hbase/molecule/vibrot2.html#c1
 Classical Mechanics
• Translation
• Newton’s laws of motion
• Momentum, work &
energy

• Rotation
• Angular momentum
• Moments of inertia

• Vibration
• Simple harmonic motion