diff --git a/lessons/absorption-of-conjugated-dyes-with-finite-well-PIB.yml b/lessons/absorption-of-conjugated-dyes-with-finite-well-PIB.yml index 1e8eb02..d924387 100644 --- a/lessons/absorption-of-conjugated-dyes-with-finite-well-PIB.yml +++ b/lessons/absorption-of-conjugated-dyes-with-finite-well-PIB.yml @@ -18,7 +18,7 @@ expanded_description: | Traditionally, students probe the PIB model by measuring the UV-vis absorption of conjugated carbocyanine dyes. This experiment links chain length to π-π* transition energies via an analytical formula in comparison to experimental spectra. To deepen engagement and conceptual understanding, an updated version of the experiment integrates computational chemistry with classic laboratory techniques. - Students can connect molecular orbital theory to the restriction of electron motion to discrete energy levels by comparing the computationally determined $λ_{max}$ to the experimentally collected spectra. + Students can connect molecular orbital theory to the restriction of electron motion to discrete energy levels by comparing the computationally determined λ_max to the experimentally collected spectra. Additionally, the use of Python introduces valuable skills in coding, data analysis, and visualization. Together, these elements create a multifaceted learning experience that reinforces core physical chemistry concepts through modern computational tools. This module was adapted from the following publication: Patel, P. Modernizing Physical Chemistry: Integrating Computational Chemistry, the Finite Well, and Python Data Visualization in the Particle-in-a-Box Experiment. In *Engaging Students in Physical Chemistry, Volume 2; ACS Symposium Series*; American Chemical Society, **2025**; Vol. 1515, pp 261–278. https://doi.org/doi:10.1021/bk-2025-1515.ch017. @@ -90,6 +90,7 @@ related_modules: - "fooddye-uvvis-tddft" - "lesson-02-linear-variation-method" - "lesson-04-diatomic-molecule-ir-spectrum-analisys" + - "Particle-in-A-Box-Energy-Calculations" # OPTIONAL: Lessons students should complete BEFORE this one. # Values are lesson IDs (YAML filenames without .yml) — unlike the free-text @@ -128,7 +129,7 @@ materials: - "Plot a summation of gaussian peaks using a for loop" # Add more materials as needed - - title: "Part 2: Absorption of Conjugated Dyes using the Fintie Well" + - title: "Part 2: Absorption of Conjugated Dyes using the Finite Well" description: "This notebook goes through how the particle-in-a-box and the finite well model connects with UV-vis spectroscopy" type: "notebook" duration: "2-3 hours" @@ -137,7 +138,7 @@ materials: objectives: - "Use a for loop to plot the computed UV-vis spectra." - "Create more customized figures using matplotlib by overlaying computed and experimental spectra" - - "Determine the computed maximum wavlength of absorbance from various models and spectra" + - "Determine the computed maximum wavelength of absorbance from various models and spectra" # LEARNING OBJECTIVES (REQUIRED) # What molecular science concepts will students learn?