columbia大学有机化学课件 （三）.pptVIP

1.12Electron Waves andChemical Bonds Models for Chemical Bonding Valence Bond Theory Molecular Orbital Theory Formation of H2 from Two Hydrogen Atoms Examine how the electrostatic forces change as two hydrogen atoms are brought together. These electrostatic forces are: attractions between the electrons and the nuclei repulsions between the two nuclei repulsions between the two electrons Figure 1.14 Figure 1.14 Figure 1.14 Figure 1.14 Figure 1.14 Models for Chemical Bonding Valence Bond Theory constructive interference between two  electron waves is basis of shared-electron bond Molecular Orbital Theory derive wave functions of molecules by combining wave functions of atoms 1.13Bonding in H2:The Valence Bond Model Valence Bond Model Electron pair can be shared when half-filled orbital of one atom overlaps in phase withhalf-filled orbital of another. Valence Bond Model Valence Bond Model s Bond: orbitals overlap along internuclear axis Cross section of orbital perpendicular to internuclear axis is a circle. Valence Bond Model of H2 Valence Bond Model of H2 Valence Bond Model of H2 Valence Bond Model of H2 1.14Bonding in H2:The Molecular Orbital Model Main Ideas Electrons in a molecule occupy molecular orbitals (MOs) just as electrons in an atom occupy atomic orbitals (AOs). Two electrons per MO, just as two electrons per AO. Express MOs as combinations of AOs. MO Picture of Bonding in H2 Two AOs yield two MOs Bonding combination Antibonding combination yMO = y(H)1s + y(H)1s yMO = y(H)1s - y(H)1s Fig. 1.19: Energy-Level Diagram for H2 MOs Fig. 1.19: Energy-Level Diagram for H2 MOs Fig. 1.19: Energy-Level Diagram for H2 MOs Fig. 1.19: Energy-Level Diagram for H2 MOs 6 2 3 3 3 3 3 The Lewis model of chemical bonding predatesthe idea that electrons have wave properties. There are two other widely used theories ofbonding that are based on the wave nature of anelectron. + e– + e– Potentialenergy H? + H? Inter