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CHEM310L - Physical Chemistry I Lab Manual

Fundamentals of physical chemistry with an emphasis on quantum chemistry, molecular structure, and molecular spectroscopy.

Chemistry
Tác giả
Kathryn Haas
Nhà xuất bản
Duke University
Nguồn
LibreTexts
Ngôn ngữ
EN
Danh mục
Khoa học cơ bản
Đọc trực tuyến Tải PDF (nguồn mở)
Mục lục· 123 mục
  1. 01: Orientation to this course
  2. 1.01: Pre-lab orientation assignment
  3. 1.02: Introductory Details
  4. 1.03: Rubrics
  5. 1.04: Statements
  6. 02: Introduction to Matlab
  7. 2.01: Pre-lab Assignment
  8. 2.02: Learning objectives
  9. 2.03: Matlab Practice (In Class Activity)
  10. 2.3.01: The Basics
  11. 2.3.02: Practice with LiveScript
  12. 2.3.03: MatLab for Data Analysis In This Course
  13. 2.04: How to Access Matlab
  14. 2.4.01: Invoking Matlab From the Lab Computers
  15. 2.4.02: Install FastX and access software with your own computer
  16. 2.4.03: Access from off-campus (The Duke VPN)
  17. 2.4.04: Install Matlab on your own computer
  18. 2.05: Using Matlab (Supplemental)
  19. 2.5.01: Entering Matricies
  20. 2.5.02: Matrix Computation
  21. 2.5.03: Vectors
  22. 2.5.04: Subscripting
  23. 2.5.05: Finding Deleting Adding or Replacing Data
  24. 2.5.06: Output Format
  25. 2.5.07: The Help Facility
  26. 2.5.08: Array Operations
  27. 2.5.8.01: Array Addition and Subtraction
  28. 2.5.8.02: Array Multiplication and Division
  29. 2.5.8.03: Array Powers
  30. 2.5.8.04: Math Functions
  31. 2.5.09: Graphics
  32. 2.5.9.01: Basic Plots
  33. 2.5.9.02: Line Types
  34. 2.5.9.03: Multiple Plots
  35. 2.5.9.04: Manual Axis Scaling
  36. 2.5.9.05: Overlaying Plots
  37. 2.5.10: Linear Least Squares Analysis
  38. 2.5.11: Last Line Editing and Recall
  39. 2.5.12: Saving Data
  40. 2.5.13: Deleting Matrices
  41. 2.5.14: Quitting Matlab
  42. 2.5.15: Transferring Files Between Your Computer and Your Duke NetID Account
  43. 03: Estimating and Reporting Experimental Error
  44. 3.01: Pre-lab Assignment
  45. 3.02: Characterizing Experimental Errors
  46. 3.03: Estimating and Reporting Error (Statistics Propogation and Rounding)
  47. 3.04: Least Squares Linear Regression
  48. 3.05: Rejection of Outliers (Q-test)
  49. 3.06: Guidelines for Recording and Reporting Data in your ELN
  50. 3.07: Homework Problems
  51. 3.08: References and Additional Reading
  52. 04: Absorption Spectrum of Conjugated Dyes
  53. 4.01: Prelaboratory Assignment
  54. 4.02: Introduction
  55. 4.03: Procedure for Collecting Absorption Spectra and Applying the PIB model
  56. 4.04: Huckel Calculations Using Hulis (Part II)
  57. 4.05: Instructions for using the UV-Vis Spectrophotometers
  58. 4.06: References and Additional Reading
  59. 4.07: TA Notes
  60. 05: Molecular Spectroscopy of Iodine
  61. 5.01: Prelaboratory Assignment
  62. 5.02: Introduction
  63. 5.03: Potential Energy Curves
  64. 5.04: Experimental Part I - Absorption Spectrum of Iodine Vapor
  65. 5.05: Experimental Part II - Emission Spectrum of Iodine Vapor
  66. 5.06: References and Additional Reading
  67. 06: Rotation-Vibration Spectrum of HCl
  68. 6.01: Pre-lab Assignment
  69. 6.02: Background on Rotovibrational Spectroscopy
  70. 6.2.01: The Electromagnetic Spectrum and Molecular Transitions
  71. 6.2.02: Rotational Transitions Accompany Vibrational Transitions
  72. 6.2.03: Transition Intensities
  73. 6.2.04: The Pure Rotational Spectrum has Unequal Spacings
  74. 6.2.05: Anharmonicity and Vibrational Overtones
  75. 6.03: Experimental and Instructions
  76. 6.05: References
  77. 07: Molecular Electronic Structure Calculations
  78. 7.01: Pre-Lab Assignment
  79. 7.02: Introduction to Electronic Structure Calculations
  80. 7.03: Accessing Spartan
  81. 7.04: Exercise 1 - Estimation of the IR Spectrum of HCl and DCl
  82. 7.05: Exercise 2 - Molecular Orbitals of Formaldehyde
  83. 7.06: Exercise 3 - Modeling Sulfur Dioxide - Comparing the Results of Different Basis Sets and Calculation Models
  84. 7.07: Exercise 4 - Modeling the Absorption Spectrum of Cyanine Dyes
  85. 7.08: Exercise 5 - Modeling an Intramolecular Rearrangement
  86. 08: Independent Project
  87. 8.01: Introduction
  88. 8.02: Literature
  89. 8.03: Computational
  90. 09: Under Construction
  91. 9.01: FTIR spectrum of HCl
  92. 9.02: Part I - Data Analysis
  93. 9.03: Part I - References
  94. 9.04: Part II - Data Analysis
  95. 9.05: Part II - References
  96. 9.06: Emission Spectrum of Iodine Vapor
  97. 9.07: Practice using a custom script
  98. 9.08: Matlab Practice (In Class Activity)
  99. 9.8.01: The Basics
  100. 9.8.02: Practice with LiveScript
  101. 9.8.03: MatLab for Data Analysis In This Course
  102. 9.09: The Treatment of Experimental Error
  103. 9.9.01: Characterizing Experimental Errors
  104. 9.9.02: Estimating and Reporting Error (Statistics Propogation and Rounding)
  105. 9.9.03: Least Squares Linear Regression
  106. 9.9.04: Rejection of Outliers (Q-test)
  107. 9.9.05: Guidelines for Recording and Reporting Data in your ELN
  108. 9.9.06: References and Additional Reading
  109. 9.9.07: Pre-lab Assignment
  110. 9.9.08: Learning Objectives Important Info
  111. 9.9.09: Characterizing Experimental Errors
  112. 9.9.10: Propagation of Uncertainty
  113. 9.9.11: Least Squares Linear Regression
  114. 9.9.11.01: Rejection of Discordant Data
  115. 9.9.11.02: Weighted Least Squares Analysis
  116. 9.9.11.03: References
  117. 9.9.12: Homework Problems
  118. 9.10: Rotation-Vibration Spectrum of HCl AND DCl Vibrational Spectrum of SO2
  119. 5.4: Data Analysis
  120. 9.10.01: Prelaboratory Exercise
  121. 9.10.02: Transition Intensities
  122. 9.10.03: Part I - FTIR spectrum of a mixture of HCl and DCl gas
  123. 9.10.04: Part II - FTIR spectrum of SO2