PChem322 f20 w5

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Join Zoom Meeting

Mon, Feb 22, 2021

Section 4.3 cont.

more about degeneracy...

- when ax≠ay≠az --> calculate energies
Degeneracy Excel worksheet

Section 4.4

Probability of finding particle in a certain area of a 1D box
Expectation Value problem

Weds, Feb 24, 2021

Review

Chapter 1

  • Blackbody Radiation, Figure 1.2 with frequency axis (Sec 1.3)
  • Photoelectric Effect, Figure 1.4 (Sec 1.4)
  • Particle-Wave Duality (sec 1.5/1.6 - eq. 1.11)
  • Emission Spectra/Rydberg Eq. (Sec 1.7 - eq. 1.13)

Chapter 2

  • Properties of Waves (Sec 2.2)
- Standing wave derivation (eq. 2.10)
- construction/destruction of waves
- Classical Non-Dispersive Wave Equation (eq. 2.11)
  • Derivation of Classical Non-Dispersive Wave Equation to QM Equivalent/time-independent Schrodinger Eq. (Sec 2.3 - eq.2.21)
  • Basics of Operator Algebra (operator, eignefunction, eigenvalue) (Sec 2.4)
  • Orthogonal (eq. 2.31), Normalized (see ex prob 2.6), and complex conjugate. (Sec. 2.5)

Chapter 3

  • Postulate 1 - wave function fully describes particle (sec 3.1)
  • Postulate 2 - operators (sec 3.2)
  • Postulate 3 - eignevalues (sec 3.3)
  • Postulate 4 - Expectation Value (sec 3.4)

Chapter 4

  • Particle in a 1D Box (Sec 4.2)
- boundary conditions
- acceptable wavefunction (eq. 4.13)
- normalization of wavefunction (eq. 4.15)
- energy (eq. 4.17)
  • 2D/3D Boxes (Sec 4.3)
- 2D/3D wavefunctions
- 2D/3D energy
  • Applying Postulates (Sec 4.4)
- Probability of finding particle in a region of box (Ex. Prob 4.3)
- Expectation Value (Ex. Prob. 4.4)

Chapter 5, partial (lab)

  • A "real-life" 1D PIB - conjugated diene/polyene
- wavefunction (same as 1D box)
- energy levels (calculated using 1D box energy)
- given a conjugated polyene
  • determine molecular/box length (WebMO)
  • considering the number of π-electrons, evaluate the "n" associated with the HOMO and LUMO.
  • predict λmax --> ΔE=hc/λ.
  • given λmax predict molecular length (ie. box length)

Additional Skills

Proficient with Excel
- basics of spreadsheets/graphing
- using global variable/universal constants
Proficient with Igor
- how to "load waves"
- graphing
- layout
Proficient with Mathematica
- Plot function
- Sin function
- Manipulate function
Proficient with WebMO
-starting jobs/drawing structures/submitting jobs/viewing results
Proficient in operating the UV-Vis Spectrophotometer
- Turn on instrument
- Prepare sample
- Blank instrument
- Collect sample data
- save data (.CSV) to USB and transfer to Igor/Excel

ACS Salaries Report 2020

Thurs, Feb 25, 2021

Exam 1 (Ch 1-5)

Friday, Feb 26, 2021

No class