1. Lecture 25: Introduction to Molecular Orbital Theory The material in this lecture covers the following in Atkins. 14 Molecular structure Molecular Orbital Theory (a) Linear combinations of atomic orbitals (b) bonding orbitals (c) anti-bonding orbitals Lecture on-line Introduction to Molecular Orbital theory (PowerPoint) Introduction to Molecular Orbital Theory (PDF) Handout for this lecture

10. (a)The amplitude of the bonding molecular orbital in a hydrogen molecule-ion in a plane containing the two nuclei and (b) a contour representation of the amplitude.

11. A representation of the constructive interference that occurs when two H 1s orbitals overlap and form a bonding  orbital. Compare this illustration with Fig.14.14.

12. The boundary surface of a  orbital encloses the region where the electrons that occupy the orbital are most likely to be found. Note that the orbital has cylindrical symmetry.

13. The electron density calculated by forming the square of the wavefunction used to construct Fig.14.14. Note the accumulation of electron density in the internuclear region.

19. The calculated and experimental molecular potential energy curves for a hydrogen molecule-ion.

20. A representation of the destructive interference that occurs when two H1s orbitals overlap and form an antibonding  * orbital. Compare this illustration with Fig.14.20.

21. (a) The amplitude of the antibonding molecular orbital in a hydrogen molecule-ion in a plane containing the two nuclei and (b) a contour representation of the amplitude. Note the internuclear node.

22. The electron density calculated by forming the square of the wavefunction used to construct Fig.14.20. Note the elimination of electron density from the internuclear region.

23. (b) In an antibonding orbital, the nuclei are attracted to an accumulation of electron density outside the internuclear region. A partial explanation of the origin of bonding and antibonding effects. (a) In a bonding orbital, the nuclei are attracted to the accumulation of electron density in the internuclear region.

24. A molecular orbital energy level diagram for orbitals constructed from the overlap of H1s orbitals; the separation of the levels corresponds to that found at the equilibrium bond length. The ground electronic configuration of H 2 is obtained by accommodating the two electrons in the lowest available orbital (the bonding orbital).