CHEM301L: Physical Chemistry Lab Manual

by Kathryn Haas

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Laboratory experiments designed to accompany CHEM 301 including including quantum chemistry, molecular structure, molecular spectroscopy, thermodynamics, and kinetics. Course includes instruction and practice in writing the laboratory notebook and formal laboratory reports.

Description from LibreTexts.

Publisher
Duke University
Subjects
Chemistry
Licence
CC BY-NC-SA 4.0, as LibreTexts states it. Non-commercial use only.
Who can read
Tweens profiles and older, judged from its title and subjects

Contents

LibreTexts writes equations in TeX, and here they show as TeX; the PDF has them typeset.

  1. Front Matter
  2. TitlePage
  3. InfoPage
  4. Table of Contents
  5. Licensing
  6. 1: Orientation to this course
  7. 1.1: Pre-Semester Orientation Assignments
  8. 1.2: Course Overview
  9. 1.3: Meetings and Deadlines
  10. 1.4: Academic Integrity
  11. 1.5: Lab Citizenship
  12. 1.6: Assignment Details
  13. 2: Introduction to Computational Tools for P-Chem
  14. 2.1: Pre-Lab Assignment
  15. 2.2: Python, Jupyter Notebooks, and Google CoLab
  16. 2.3: Chem Compute for Molecular Electronic Structure Calculations
  17. 3: The Treatment of Experimental Uncertainty
  18. 3.1: Pre-lab Assignment
  19. 3.2: Characterizing Experimental Uncertainty
  20. 3.3: Estimating and Reporting Uncertainties (Statistics, Propogation, and Rounding)
  21. 3.4: Least Squares Linear Regression
  22. 3.5: Rejection of Outliers (Q-test)
  23. 3.6: Guidelines for Managing and Reporting Uncertainty in Experiments
  24. 3.7: Homework Problems
  25. 3.8: References and Additional Reading
  26. 4: Absorption Spectrum of Conjugated Dyes
  27. 4.1: Pre-lab Assignment
  28. 4.2: Proceedure (Part I) – Collect Spectra, Apply PIB
  29. 4.2.1: Instructions for using the UV-Vis Spectrophotometers
  30. 4.2.2: Introduction to Particle in the Box (PIB) applied to Dyes
  31. 4.3: Proceedure (Part II) – Hückel Calculations Using Hulis (Part II)
  32. 4.3.1: Introduction to Hückel Theory
  33. 4.4: References and Additional Reading
  34. 5: What can FTIR Tell Us About a Molecule?
  35. 5.1: Pre-lab Assignments
  36. 5.2: The Electromagnetic Spectrum and Molecular Transitions
  37. 5.3: Experimental and Instructions
  38. 5.3.1: Instructions for using the Nicolette iS50 FTIR
  39. 5.4: Background on Rotovibrational Spectroscopy
  40. 5.4.1: Rotational Transitions Accompany Vibrational Transitions
  41. 5.4.2: Transition Intensities
  42. 5.4.3: The Pure Rotational Spectrum has Unequal Spacings
  43. 5.4.4: Anharmonicity and Vibrational Overtones
  44. 5.5: References
  45. 6: Molecular Spectroscopy of Iodine
  46. 6.1: Prelaboratory Assignment
  47. 6.2: Introduction
  48. 6.3: Potential Energy Curves
  49. 6.4: Experimental Part I - Absorption Spectrum of Iodine Vapor
  50. 6.5: Experimental Part II - Emission Spectrum of Iodine Vapor
  51. 6.6: References and Additional Reading
  52. 7: Molecular Electronic Structure Calculations
  53. 7.1: Pre-Lab Assignment
  54. 7.2: Introduction to Electronic Structure Calculations
  55. 7.3: Accessing Spartan
  56. 7.4: Exercise 1 - Estimation of the IR Spectrum of HCl, and Comparison of Basis Sets
  57. 7.5: Exercise 2 - Molecular Orbitals of Formaldehyde
  58. 7.6: Exercise 3 - Modeling Sulfur Dioxide - Comparing the Results of Different Basis Sets and Calculation Models
  59. 7.7: Exercise 4 - Modeling the Absorption Spectrum of Cyanine Dyes
  60. 7.8: Exercise 5 - Modeling an Intramolecular Rearrangement
  61. 8: Independent Project
  62. 8.1: Pre-Lab and Introduction
  63. 8.2: Literature
  64. 8.3: Computational
  65. 9: How Should Apples be Prepared for a Fruit Salad?
  66. 9.1: Pre-Lab Assignments
  67. 9.2: Introduction
  68. 9.3: Part I, The effect of apple extract on oxidation of catechol
  69. 9.4: Part II, Does the type of apple matter?
  70. 9.5: Part III, Inhibition of catechol oxidation
  71. 9.7: Experimental Procedure for Parts I - III
  72. 9.8: Post-Lab
  73. 9.10: References
  74. 10: Calorimetry
  75. 10.1: Pre-lab Assignment
  76. 10.2: Introduction to calorimetry
  77. 10.3: Solution Calorimetry
  78. 10.3.1: Introduction
  79. 10.3.2: Instrumentation
  80. 10.3.3: Experimental
  81. 10.3.4: Data Analysis
  82. 10.3.5: Discussion questions
  83. 10.4: Bomb Calorimetry
  84. 10.4.1: Introduction to bomb calorimetry
  85. 10.4.2: Instrumentation and Safety
  86. 10.4.3: Experimental
  87. 10.4.4: Data analysis
  88. 10.4.5: Calculations and Discussion
  89. Back Matter
  90. Index
  91. Detailed Licensing (3)
  92. Glossary
  93. Detailed Licensing
  94. Detailed Licensing (2)
  95. Detailed Licensing (1)