pchem final

What does it mean for a wave function to be normalized

S Psi* times psi = 1

What is the meaning of S psi* times psi

Probability of finding particle within a set range

Requirements for valid wavefunctions

1. Single valued

2. Be continuous

3. Be finite

4. Not diverge as x _> infinity

Function vs operator

Function acts on a number, operator acts on a function

How to add operators C^ = A^ + B^

C^psi = A^psi + B^psi

How to multiple operators C^=A^ x B^

C^psi = A^(B^psi)

NOT COMMUNICATIVE

What is an eigenvalue

The constant multiplied by function after function gone through operator

What does it mean for wave function to be orthogonal

S Psi 0* x psi1 =0

What does it mean for wavefunction to be orthonormal

S psi0* x psi1 = 0 AND S psi0* x psi1 = 1

Why must wavefunctions be normalized

Easier to calculate probabilities and other characteristics

General function of particle in a line

Psi = Csin(kx) + Dcos(kx)

How to find energy of orbital of 2D model

E = (n1²/L1² + n2²/L2²)(h²/8m)

What does degenerate mean in 2D box model

Multiple levels with same energy

How to convert energy to wavelength

e = hc/lambda

What assumptions are made in particle in a line/box model

No electron/electron interactions, potential energy = 0, no stretching of bonds, no e moving outside bounds

What assumptions are made in harmonic oscillator models

No gravity

What is reduced mass mu?

mu = (ma + mb)/(ma + mb)

What is true about harmonic oscillator theory

Good at low quantum numbers

Selection rules for a molecule to be IR active

Can only be excited ± 1 state, dipole moment must change

Units onvibrational frequency v vs v~

V = s-1, v~ = cm-1

Difference between anti-stokes and stoke in Raman scattering

Stokes = shorter line; anit-stokes = longer line

explain trend in force constants of halogen series (HF > HCl > HBr > HI)

Smaller atoms need more energy to stretch. Electronegativity

Explain force constant trend N2 > O2> F2

Triple vs double vs single. Harder to stretch

Three integrals in rigid rotor

R: 0-a

Theta: 0-pi

Phi: 0 - 2pi

What does L correspond to in orbital. What is lowest possible L value

Shale (S, p, d, …)

0

How to find num degeneracy levels rigid rotor

2L + 1

What does m correspond to in orbitals

Orientation of orbital (px, py, pz)

Selection rules for MW

Must have permanent dipole and delta L ± 1

What molecules are NOT rotational Raman active

Spherical (tetrahedral, octahedral, w same atom on outside

What is energy of atom dependent on

Only n quantum number, 2s = 2p

How to determine epangular nodes in atomic orbital

Angular nodes = L

How to determine number of radial nodes in atomic orbital

Radial nodes = n - L - 1

What is Pauli exclusion principle

All electrons hav down set of quantum numbers n, l, ml, ms

How to write term sumbol for carbon

S = 1; L = 1; J = L-S

3P0

How to find J in term symbols

If HOMO is less than ½ full, J = |L-S|

more than ½ full J = L+S

@ half full J =S

Which elements have weird electron configurations

Chromium and copper

Cr; [Ar] 4s1 ed5

Hindus rules for determining stability through term symbols

Larrest S, largest L,

For <1/2 full, lowest J, >1/2 full highest J

Selection rules for atomic spectra (term symbols)

Delta L = 0, ± 1

Delta S = 0

Delta J = 0, ± 1, not J=0 to J =0

What does paramagnetic mean

Unpaired electrons in molecular orbital

If molecule is larger than O2, what is molecular orbital pattern

o o o p p o

If molecule is smaller than O2, what is molecular orbital bonding pattern

o o p o p o

How to calculate bond order

BO = ½ (binding e - anti bind e)

What is true of an ideal solution

1. Particles have no volume

2. Particles are separated by large distances

3. In constant random motion

4. Collisions are elastic

5. Particles don’t interact

When are ideal solution assumptions legitimate?

1. Nonpolar

2. Small

3. Low pressure

4. High temp

If there is no change in temp, is there heat

No

What is the first law of thermodynamics

Internal energy of an isolated system is constant

Delta U = q + w

What are state functions and examples

Don’t depend on the path taken. Energy, U, or H

What are path functions and examples

Depend on the path taken between initial and final state. Work and heat

What does extensive and intensive mean in terms of delta H

Extensive = depends on # moles

What does adiabatic mean?

No energy is transferred as heat

What is the second law of thermodynamics?

Delta S total >=0

What is the third law of thermodynamics

Entropy of a system approaches 0 as temp approaches 0K

Why is third law of thermodynamics improtant

Creates absolute scale

If S >0 @ 0K, it has ___

Residual entropy

What molecules exhibit greater molar entropy

Larger, more massive, atoms. Less steric hinderance, more flexibility

When use Helmholtz (delta A) vs Gibbs ( delta G)?

A = constant volume

G = constant pressure

If isothermal and reversible, what does delta A equal

W

If delta A <0, what does that signify? >0?

The max work that can be obtained, vs the min work that must be provided to drive rxn

Relationship between g and a

G = A + PV

why are maxwell realtions useful

to determine how change in one variable will affect another

what is normal mp

1 amt

what is standard mp

1 bar

how to calculate degrees of freedom from phase graph

3-p

what is azeotrope

mixture for which there is no phase change with boiling. cant be distilled

what are assumed of ideal solutions?

1. randomly distributed

2. small in size and shape

3. IM forces in pure liquid and solution are similar

extended debye huckel version is for ____

high concentrations and ionic strengths