35. Understanding Molecular Structure and Energy through Standard Bonds

Freshman Organic Chemistry (CHEM 125)

Although molecular mechanics is imperfect, it is useful for discussing molecular structure and energy in terms of standard covalent bonds. Analysis of the Cambridge Structural Database shows that predicting bond distances to within 1% required detailed categorization of bond types. Early attempts to predict heats of combustion in terms of composition proved adequate for physiology, but not for chemistry. Group- or bond-additivity schemes are useful for understanding heats of formation, especially when corrected for strain. Heat of atomization is the natural target for bond energy schemes, but experimental measurement requires spectroscopic determination of the heat of atomization of elements in their standard states.

00:00 - Chapter 1. The Limits of Molecular Mechanics Programs
07:32 - Chapter 2. The Cambridge Structural Database and the Demands of Predicting Bond Characteristics
21:36 - Chapter 3. Calculating Chemically Useful Heats of Formation
42:17 - Chapter 4. Measuring Heats of Atomization with Bond Energies

Complete course materials are available at the Open Yale Courses website: http://open.yale.edu/courses

This course was recorded in Fall 2008.