Chemistry 341 Physical Chemistry I Fall 2011

EXAM 1 REVIEW SHEET [Exam 1: Friday September30, 11:10 AM12:00 PM, Packard Lab Aud. 101] Quantum Mechanics
1. Wave theory of light constructive interference destructive interference Planck quantum theory blackbody radiation h 8 2 ( ) = h 3 c kT e 1 average energy of an oscillator

2.

=
3.

h e
h kT

Photoelectric effect 1 k . e. = me v 2 = h 2 de Broglie relation = Wave behavior in 1-D wavelength ( ) period ( )

~ wavenumber ( = 1

4. 5.

h p

frequency ( =

6.

Differential equation for the spatial dependence of a standing wave 2 d2 2 D = D dx 2 Schrdinger equation in 1-D
h2 d 2 + V = E 2m dx 2

7.

8.

Eigenvalue problem $ =

$ is an eigenfunction of the operator with eigenvalue

9. Heisenberg uncertainty principle h x p 2 Three postulates concerning quantum theory Average value theorem $ * dv = * dv Quantum mechanical operators $ x x h $ px = i h x i x Particle in a 1-D box condition for a standing wave in a 1-D box of length a a = n with n=1, 2, 3, 2 h2 n2 En = with n=1, 2, 3, ... 8 ma 2 14. n x 2 n = sin with n=1, 2, 3, a a probability of finding a particle between x1 and x2 x2 2 x = x1 n dx
1/ 2

10. 11.

12.

13.

electronic spectra of polyenes CNHN+2 prediction of lowest energy p-electron transition

Quantum mechanical tunneling through barrier of height Vo and width a light mass particles can tunnel into regions where E<Vo
{ea e a }2 T= + 1 ( ) 16 1
1/ 2 o
1

{2 mV (1 )} with =
h

and =

E Vo

15.

Schrdinger equation in 2-D Particle in 2-D box of dimensions a x b 2 2 h 2 nx n y E n x ,n y = + with nx = 1, 2, and ny = 1, 2, 8 m a 2 b2 Particle in 2-D square box of sides a idea of degenerate levels h2 2 2 E n x ,n y = with nx = 1, 2, and ny = 1, 2, 2 nx + n y 8 ma

16.

Schrdinger equation in 3-D Particle in 3-D box of dimensions a x b x c 2 2 h 2 nx ny nz2 E n x ,n y ,n z = + with nx = 1, 2, , ny = 1, 2, and nz = 1, 2, + 8 m a 2 b2 c2 Particle in 3-D cubic box of sides a idea of degenerate levels h2 2 E n x ,n y ,n z = n 2 + ny + nz2 with nx = 1, 2, , ny = 1, 2, and nz = 1, 2, 8 ma 2 x

17.

Harmonic oscillator 1 V ( x) = k x 2 2 1 Ev = v + h o 2
1/ 2

with v =0, 1, 2,

18.

1 k with o = 2 v the number of nodes ( ) as the energy E v goes ( )

Particle of mass m on a circle on a circle of radius R [also rigid rotor in 2-D where m= ]
En = h 2 ml2 with ml = 0, 1, 2, 8 2 m R 2
1/ 2

1 ml = e i ml 2 with ml > 0 counterclockwise rotation looking down on circle (clockwise rotation looking along positive-z axis) and ml < 0 clockwise rotation looking down on circle (counterclockwise rotation looking along positive z-axis) benzene and porphine group as examples

19.

Rigid rotor in 3D Diatomic molecule I = R 2 h2 E J = J ( J + 1) = B h c J ( J + 1) with ( J = 0, 1, 2, ...) 2I h where B = 8 2 c I m $ m L2 Yl l = l ( l + 1) h 2 Yl l with ( l = 0, 1, 2 ...) ml ml $ L Y = m hY with ( m = 0, 1, 2, )
z l l l