1.3: Rubrics
- Page ID
- 408417
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\(\newcommand{\avec}{\mathbf a}\) \(\newcommand{\bvec}{\mathbf b}\) \(\newcommand{\cvec}{\mathbf c}\) \(\newcommand{\dvec}{\mathbf d}\) \(\newcommand{\dtil}{\widetilde{\mathbf d}}\) \(\newcommand{\evec}{\mathbf e}\) \(\newcommand{\fvec}{\mathbf f}\) \(\newcommand{\nvec}{\mathbf n}\) \(\newcommand{\pvec}{\mathbf p}\) \(\newcommand{\qvec}{\mathbf q}\) \(\newcommand{\svec}{\mathbf s}\) \(\newcommand{\tvec}{\mathbf t}\) \(\newcommand{\uvec}{\mathbf u}\) \(\newcommand{\vvec}{\mathbf v}\) \(\newcommand{\wvec}{\mathbf w}\) \(\newcommand{\xvec}{\mathbf x}\) \(\newcommand{\yvec}{\mathbf y}\) \(\newcommand{\zvec}{\mathbf z}\) \(\newcommand{\rvec}{\mathbf r}\) \(\newcommand{\mvec}{\mathbf m}\) \(\newcommand{\zerovec}{\mathbf 0}\) \(\newcommand{\onevec}{\mathbf 1}\) \(\newcommand{\real}{\mathbb R}\) \(\newcommand{\twovec}[2]{\left[\begin{array}{r}#1 \\ #2 \end{array}\right]}\) \(\newcommand{\ctwovec}[2]{\left[\begin{array}{c}#1 \\ #2 \end{array}\right]}\) \(\newcommand{\threevec}[3]{\left[\begin{array}{r}#1 \\ #2 \\ #3 \end{array}\right]}\) \(\newcommand{\cthreevec}[3]{\left[\begin{array}{c}#1 \\ #2 \\ #3 \end{array}\right]}\) \(\newcommand{\fourvec}[4]{\left[\begin{array}{r}#1 \\ #2 \\ #3 \\ #4 \end{array}\right]}\) \(\newcommand{\cfourvec}[4]{\left[\begin{array}{c}#1 \\ #2 \\ #3 \\ #4 \end{array}\right]}\) \(\newcommand{\fivevec}[5]{\left[\begin{array}{r}#1 \\ #2 \\ #3 \\ #4 \\ #5 \\ \end{array}\right]}\) \(\newcommand{\cfivevec}[5]{\left[\begin{array}{c}#1 \\ #2 \\ #3 \\ #4 \\ #5 \\ \end{array}\right]}\) \(\newcommand{\mattwo}[4]{\left[\begin{array}{rr}#1 \amp #2 \\ #3 \amp #4 \\ \end{array}\right]}\) \(\newcommand{\laspan}[1]{\text{Span}\{#1\}}\) \(\newcommand{\bcal}{\cal B}\) \(\newcommand{\ccal}{\cal C}\) \(\newcommand{\scal}{\cal S}\) \(\newcommand{\wcal}{\cal W}\) \(\newcommand{\ecal}{\cal E}\) \(\newcommand{\coords}[2]{\left\{#1\right\}_{#2}}\) \(\newcommand{\gray}[1]{\color{gray}{#1}}\) \(\newcommand{\lgray}[1]{\color{lightgray}{#1}}\) \(\newcommand{\rank}{\operatorname{rank}}\) \(\newcommand{\row}{\text{Row}}\) \(\newcommand{\col}{\text{Col}}\) \(\renewcommand{\row}{\text{Row}}\) \(\newcommand{\nul}{\text{Nul}}\) \(\newcommand{\var}{\text{Var}}\) \(\newcommand{\corr}{\text{corr}}\) \(\newcommand{\len}[1]{\left|#1\right|}\) \(\newcommand{\bbar}{\overline{\bvec}}\) \(\newcommand{\bhat}{\widehat{\bvec}}\) \(\newcommand{\bperp}{\bvec^\perp}\) \(\newcommand{\xhat}{\widehat{\xvec}}\) \(\newcommand{\vhat}{\widehat{\vvec}}\) \(\newcommand{\uhat}{\widehat{\uvec}}\) \(\newcommand{\what}{\widehat{\wvec}}\) \(\newcommand{\Sighat}{\widehat{\Sigma}}\) \(\newcommand{\lt}{<}\) \(\newcommand{\gt}{>}\) \(\newcommand{\amp}{&}\) \(\definecolor{fillinmathshade}{gray}{0.9}\)The points that you earn during the semester will determine what letter grade you earn based on a traditional seven-point college grading scale.
\[\text{Letter Grade} \equiv \frac{\text{Points Earned}}{\text{Total Possible Points Earned}} \times 100% \]
Each of the modules and their components are allotted points based on the tentative information below. Teaching assistants will modify the point breakdown as necessary. These rubrics, and all changes to these rubrics, will be applied equally across all student's work in a given semester.
Overall points
| Item | Point Breakdown | Total Points |
|---|---|---|
| Pre-semester Orientation Assignment | 15 | 15 |
| MatLab Pre-Lab MatLab In-Class Participation |
10 25 |
35 |
| Treatment of Error Pre-Lab Participation during In-Class Problem Session Accurate and Complete Problem Set |
10 5 25 |
40 |
| Absorption Spectra of Dyes Pre-Lab Absorption Spectra of Dyes ELN (including participation) |
10 30 |
40 |
| Electronic and Vib. Spectroscopy of Iodine Pre-Lab Electronic and Vib. Spectroscopy of Iodine ELN |
10 30 |
40 |
| Rotovibrational Spectroscopy (FTIR) Pre-Lab Rotovibrational Spectroscopy (FTIR) ELN (including participation) |
10 30 |
40 |
| Computational Pre-Lab Computational ELN |
10 30 |
40 |
| Individual Projects | 50 | 50 |
| TOTAL | 300 |
ELN Point Deductions and other penalties for repeated issues
| Issue | Typical deduction |
|---|---|
| Tardy by between 7 - 15 minutes | - 5 points to ELN or is not allowed not participate |
| Tardy by 16 - 20 minutes | - 10 points to ELN or is not allowed not participate |
| Tardy by more than 20 minutes | - 15 points and is not allowed to participate |
| Failure to wear safety eyewear in lab | - 5 points for each occur ance after first warning |
| Failure to dress appropriately to lab and must borrow clothing from instructors | - 10 points from ELN for each occurrence, or not allowed to participate |
| Displaying symptoms of illness and failing to wear a face mask during meetings | - 5 points for each occurrence |
Detailed Rubrics for each module
MatLab
| Introduction to MatLab | |
|---|---|
| 10 points | Preparation for meeting by installing MatLab on computer, completing Matlab basics tutorials, bringing working computer with MatLab installed to lab meeting. |
| 25 points | Participation in the MatLab Tutorial and correct completion of assignment. |
Error
| Treatment of Experimental Error | |
|---|---|
| 10 points | Preparation for meeting by submission of attempt of all problems. |
| 5 points | Participation in the Error study hall session |
| 25 points | Correct response on all questions |
Dyes with Huckle
| Absorption spectra of conjugated Dyes | |
|---|---|
| 10 points | preparation for lab (pre-lab assignment) |
| 3 points | Spectra of the following: Validation of instrument, 4 dyes. Data: Uncertainty in peak wavelengths, comparison with literature values (See Q1-3) |
| 2 points | Calculation of experimental Energy in eV from \(\Lambda_max\) (See Q4) |
| 1 points | Selection of \(\Gamma\) using Matlab "dye" script (3 pts) and explanation of how dye script works (1 pt). (See Q5) |
| 3 points | Calculate \(\Lambda_{max}\) from particle in the box model and compare with experimental value. (See Q6-7) |
| 3 points | Discussion of results. (See Q8) |
| 1 points | Calculation of \(\Lambda_{max}\) and Energy in eV for octatetraene. (See Q9) |
| 3 points | HMO calculations for each dye; correct structures; # of \(\pi\) elecrons and connectivity matrix |
| 2 points | \(\Delta\) E (beta units) for each dye |
| 2 points | MO diagram for each dye |
| 3 points | Plot HMO \(\Delta E\) vs observed \(\Delta E\), determine beta and uncertainty |
| 2 points | Calculate energy difference in kL/mole, eV, and nm |
| 1 point | completed table |
| 3 points | Discussion: Which theoretical model gives the best fit to the experimental data, and why? Are the results for each dye equally satisfactory? If your answer is no, explain why you think this is so. How are these models useful and what might be done to improve the results? |
| 1 points | Calculate the wavelength (nm) and minimum excitation energy (eV) of octatetraene using the HMO model program. In calculation use your value of β to convert to electron volts. What color does the molecule absorb from white light? What color does it then appear? |
Iodine Spectroscopy (Electronic and Vibrational Coupling)
Students will participate in only one calorimetry experiment.
| Iodine spectroscopy | |
|---|---|
| 10 points | preparation for lab (pre-lab assignment) |
| PART I: Absorption spectrum | |
| 1 point | Validation spectrum and calibrated absorption spectrum - peaks assigned |
| 1 point | Plot delta G's vs (v'+1) with linear regression |
| 2 point | Calculate w'e, X'e, D'e and a' |
| 1 point | Comparison with literature |
| 2 point | Uncertainty in w'e, X'e, and D'e |
| 1 point | Q1: Determine value of v00 |
| 1 point | Q2: Why do the vibrational spacings get narrower as V(R) increases? |
| 1 point | Q3: Why is the Morse potential asymmetric? |
| 1 point | Q4: Why are some transitions called "Hot bands"? |
| 1 point | Q5: How would you calculate X"e and D"e using the hot bands? |
| 1 point | Q6: What are the units of the Morse parameter a? |
| Part II: Emission Spectrum | |
| 1 point | Emission spectrum - peaks assigned |
| 1 point | Plot deltaG" vs (v"+1) w/linear regression |
| 2 point | Calculate w"e, X"e, and D"e |
| 2 point | Uncertainty in w"e, X"e, and D"e |
| 2 point | Calculate D"e using equation 8/ comparison with D'e |
| 1 point | Calculate a" |
| 1 point | Plot of V"(R) and V'(R) (morse in MATLAB) |
| 2 point | Estimate R"e - R'e and R'e |
| 1 point | Plot both V"(R) and V'(R) on the same graph (morse 2 in MATLAB) |
| 1 point | Comparison with literature |
| 1 point | Q1: Why are the vibrational spacings different in the ground and excited states? |
| 1 point | Q2: Why is the shape of the Morse potential different in the ground and excited states? |
| 1 point | Q3: How its it possible to observe emission peaks at higher energies than the pump energy? |
FTIR
| Rotovibrational spectroscopy of HCl/DCl using FTIR | |
|---|---|
| 10 points | Preparation for meeting by submission of attempt of all problems. |
| 17 Points for Part I | Part I: HCL/DCl |
| 1 point | Spectra of HCl & DCl - assignments labeled; list of peaks (see Step 1) |
| 2 points | Plot of \( \widetilde{\nu}_{(m)} \) vs \(m\) for 4 isotopes (see Steps 2 & 3) |
| 5 points | \(B_e, \alpha_e, \widetilde{\nu}_{o}, I_e, r_e\), and \(k\) for each isotope (see Steps 4-8) |
| 1 points | Comparison with literature value (1 points); parts a-c (3 points) (see Step/Q 9) |
| 2 points | Ratios \( \large \frac{\widetilde{\nu}_{o}^*}{\widetilde{\nu}_{o}} \) and \( \large \frac{B_{e}^*}{B_e} \) for H, D, and \(\ce{^{35}Cl}\) and \(\ce{^{37}Cl}\) (see Step 10) |
| 1 points | Explanation of why the 35Cl /37Cl isotope effect so much larger in DCl than it is in HCl (see Step/Q 11) |
| 1 points | Application of Boltzmann populations of the ground-state levels to explain relative band intensities (see Step/Q 12) |
| 1 points | Determination of relative abundance (see Step/Q 13) |
| 2 points | Uncertainty in \(B_e, \alpha_e, \widetilde{\nu}_{o}, I_e, r_e\), and \(k\) for one isotope (see Step/Q 14) |
| 1 point | Explanation of why we purge the FTIR spectrometer, and why we are careful to purge background and sample similarly (see Step/Q 15) |
| 13 points for Part II | Part II SO2 |
| 1 point | Q1 Spec. of \(\ce{SO_2} \), vibrations labeled |
| 2 points | Assign Bands |
| 1 point | Compare to literature |
| 2 points | Q2 other bands |
| 2 points | Q3 \(k_1\) and \(\frac{k\delta}{\textit{l}^2}\) |
| 2 points | Q4 \(C_v\)(vib) at 298 K and 500 K |
| 1 point | Q5 Comp. of Spec. and exptl \(C_v$\) |
| 2 points | Q6 Uncertainty in \(k_1\) and \(\frac{k\delta}{\textit{l}^2}\) (Q7) |
Computational
| Electronic Structure Calculations with Spartan | |
|---|---|
| 2 point | Exercise I: Table summarizing HCl and DCl calculations |
| 1 point | Exercise I: Comparison of computational results to experiment and literature data |
| 1 point | Exercise I: Conclusions about the accuracy of the Hartree-Fock calculation |
| 1 point | Exercise I: Analysis of bond lengths for HCl and DCl |
| 2 point | Exercise II: C-O and C-H bond lengths; CHC and HCO bond angles |
| 1 points | Exercise II: Comparison with literature |
| 2 points | Exercise II: Calculation of energy difference between HOMO and LUMO |
| 2 points | Exercise II: Images and descriptions of HOMO, LUMO, and other orbitals |
| 3 points | Exercise III: Completed table |
| 2 points | Exercise III: Comparison of computational results to literature |
| 1 point | Exercise III: Evaluation of different theories/basis sets |
| 2 points | Exercise IV: Completed table |
| 2 points | Exercise IV: Comparison of computational \( \lambda_{max} \) to experimental and theoretical values |
| 3 points | Exercise IV: Questions from Step 9 |
| 2 points | Exercise V: Equilibrium geometry energies of initial, transition, and final states |
| 1 points | Exercise V: Reaction profile plots |
| 2 points | Exercise V: Calculation of activation energy and \( \Delta H\) |