CHEM 1301 Chapter Notes - Chapter 7.4: Organic Chemistry, Energy Density, Bond Energy
22 Nov 2017
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Chapter 7: 7. 4 molecular orbital theory: diatomic molecules. Key points: using molecular orbitals theory to calculate a bond order, predict magnetic properties of a molecule and explain trends in bond length and energy. Valence bond theory (vb) is a theory of the localized bonds. According to the vb a molecule consists of distinct atoms bound together through localized overlap of valence-shell orbitals. It is widely used in organic chemistry when the concepts of and pi bonds between specific pairs of atoms, hybridization and resonance are examined. Molecular orbitals theory focuses on electrons that spread (delocalize) throughout the entire molecule and unite the entire collection of atoms together. It is successfully used in computational chemistry in calculations of molecular structures. In a modern mo theory, computer programs attempt many different alternatives of the predicted wave-functions, , (orbitals) and compare the energies of each one. The combination with the lowest energy is the best approximation for the molecular orbital.
